#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pur n PHE 2 N 0.00 0.00 -4.29 1.12 3.72 -1.26 -4.65 117.46 112.10 2pur n PHE 2 Ca 0.00 -1.06 -0.16 0.00 -0.05 0.00 0.00 57.45 56.18 2pur n PHE 2 Cb 0.00 -0.18 -0.10 0.00 -0.94 0.00 0.00 39.48 38.25 2pur n PHE 2 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2pur s THR 3 N -2.43 0.77 0.00 4.37 -4.23 -1.26 -4.84 115.64 108.02 2pur s THR 3 Ca 0.32 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.83 2pur s THR 3 Cb 0.31 -2.33 0.00 0.00 1.34 0.00 0.00 72.50 71.81 2pur s THR 3 CO -0.04 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.35 2pur n GLY 4 N -0.36 -0.22 3.56 3.99 0.00 -0.61 -4.65 105.19 106.90 2pur n GLY 4 Ca -0.04 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.50 2pur n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2pur s SER 5 N -4.00 6.49 -0.18 1.61 0.15 -1.26 -1.32 113.70 115.19 2pur s SER 5 Ca 0.00 0.13 -0.02 0.00 0.70 0.00 0.00 55.95 56.77 2pur s SER 5 Cb 0.00 -2.41 -0.01 0.00 -1.71 0.00 0.00 66.02 61.89 2pur s SER 5 CO 0.00 -0.89 -0.09 -0.63 1.20 0.00 0.00 173.24 172.83 2pur s ILE 6 N 3.36 3.13 -0.10 6.45 1.01 -0.34 0.04 121.20 134.75 2pur s ILE 6 Ca 0.33 -0.60 -0.22 0.00 0.00 0.00 0.00 60.65 60.16 2pur s ILE 6 Cb -0.12 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.94 2pur s ILE 6 CO 0.22 0.48 0.62 0.54 0.00 0.00 0.00 174.94 176.80 2pur s VAL 7 N 0.96 5.09 -1.01 2.92 0.11 -0.76 0.03 120.40 127.74 2pur s VAL 7 Ca -0.01 1.27 -0.22 0.00 -2.93 0.00 0.00 61.98 60.08 2pur s VAL 7 Cb -0.15 -3.96 0.07 0.00 -1.53 0.00 0.00 36.38 30.81 2pur s VAL 7 CO -0.01 0.26 1.38 0.00 -3.33 0.00 0.00 175.10 173.40 2pur s ALA 8 N 0.87 2.89 0.33 1.54 0.00 -0.08 -0.81 121.76 126.49 2pur s ALA 8 Ca 0.33 -2.41 -0.28 0.00 0.00 0.00 0.00 51.96 49.61 2pur s ALA 8 Cb -0.17 -4.41 -0.09 0.00 0.00 0.00 0.00 23.12 18.45 2pur s ALA 8 CO 0.15 -3.45 1.12 -1.50 0.00 0.00 0.00 175.76 172.08 2pur s ILE 9 N 4.38 3.38 0.64 0.00 2.07 -0.89 -4.65 121.20 126.13 2pur s ILE 9 Ca 0.43 1.30 -0.17 0.00 -1.41 0.00 0.00 60.65 60.79 2pur s ILE 9 Cb -0.01 -3.79 -0.01 0.00 0.13 0.00 0.00 42.46 38.78 2pur s ILE 9 CO -0.09 0.24 1.20 0.68 -1.91 0.00 0.00 174.94 175.05 2pur s VAL 10 N -1.28 2.59 -0.71 4.00 -7.23 -1.26 -3.15 120.40 113.36 2pur s VAL 10 Ca 0.49 0.34 -0.17 0.00 -1.81 0.00 0.00 61.98 60.83 2pur s VAL 10 Cb -0.31 -3.02 0.15 0.00 0.56 0.00 0.00 36.38 33.76 2pur s VAL 10 CO 0.40 -0.11 0.75 -0.89 -0.31 0.00 0.00 175.10 174.93 2pur s THR 11 N -1.79 5.13 0.34 5.32 2.01 -1.26 -4.90 115.64 120.49 2pur s THR 11 Ca 0.75 -1.64 -0.28 0.00 0.31 0.00 0.00 61.69 60.83 2pur s THR 11 Cb -0.29 -4.50 -0.10 0.00 0.01 0.00 0.00 72.50 67.62 2pur s THR 11 CO 0.38 -1.11 1.32 -2.16 -0.69 0.00 0.00 174.62 172.36 2pur s PRO 12 N 1.70 4.30 0.08 4.92 0.04 -1.26 -4.93 135.00 139.85 2pur s PRO 12 Ca 0.15 2.24 0.08 0.00 0.04 0.00 0.00 61.00 63.50 2pur s PRO 12 Cb -0.18 -3.03 -0.03 0.00 0.04 0.00 0.00 34.50 31.30 2pur s PRO 12 CO -0.01 -0.24 -0.20 -1.64 0.04 0.00 0.00 177.00 174.94 2pur s MET 13 N -1.86 1.16 0.85 4.56 -1.94 -1.26 -0.99 119.30 119.81 2pur s MET 13 Ca 0.50 -1.08 -0.14 0.00 -1.71 0.00 0.00 55.69 53.26 2pur s MET 13 Cb -0.40 -1.37 0.20 0.00 2.01 0.00 0.00 34.83 35.28 2pur s MET 13 CO 0.53 0.33 0.93 -0.40 -0.01 0.00 0.00 175.02 176.40 2pur n ASP 14 N 1.31 -0.90 0.21 3.03 5.68 0.51 -4.30 116.55 122.09 2pur n ASP 14 Ca -0.19 -1.19 0.15 0.00 -0.50 0.00 0.00 54.79 53.06 2pur n ASP 14 Cb 0.54 -0.78 0.71 0.00 -1.14 0.00 0.00 41.12 40.45 2pur n ASP 14 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2pur h GLU 15 N 0.00 0.00 -0.06 0.11 3.07 -1.97 -1.53 114.58 114.20 2pur h GLU 15 Ca -0.32 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.54 2pur h GLU 15 Cb 0.94 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.85 2pur h GLU 15 CO 0.22 0.00 0.00 1.63 -1.40 0.00 0.00 179.01 179.46 2pur n LYS 16 N -2.55 1.77 -1.01 2.33 5.02 -1.26 -4.93 118.16 117.53 2pur n LYS 16 Ca -0.00 -1.13 -0.00 0.00 -2.02 0.00 0.00 58.31 55.15 2pur n LYS 16 Cb 0.14 -1.46 -0.00 0.00 -0.02 0.00 0.00 35.03 33.68 2pur n LYS 16 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pur n GLY 17 N 1.19 0.44 3.90 0.72 0.00 -0.58 -5.04 105.19 105.83 2pur n GLY 17 Ca 0.18 -0.71 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 2pur n GLY 17 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2pur s ASN 18 N -2.66 6.35 0.21 1.61 0.01 -1.26 -4.83 114.94 114.38 2pur s ASN 18 Ca 0.00 0.35 -0.32 0.00 -0.71 0.00 0.00 52.86 52.17 2pur s ASN 18 Cb 0.00 -1.99 -0.14 0.00 0.41 0.00 0.00 41.25 39.53 2pur s ASN 18 CO 0.00 0.27 1.42 0.55 -1.51 0.00 0.00 177.10 177.82 2pur n VAL 19 N 0.98 0.67 -3.46 1.60 3.14 -1.26 -0.36 118.33 119.64 2pur n VAL 19 Ca -0.11 -0.17 -0.43 0.00 -2.96 0.00 0.00 64.34 60.67 2pur n VAL 19 Cb 0.53 -1.38 -0.08 0.00 -1.06 0.00 0.00 33.84 31.84 2pur n VAL 19 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2pur h ARG 21 N 8.64 0.86 -0.79 0.00 2.43 -1.92 -0.72 114.38 122.88 2pur h ARG 21 Ca -0.26 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.85 2pur h ARG 21 Cb 1.10 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 30.41 2pur h ARG 21 CO 0.88 0.57 0.47 0.00 -1.51 0.00 0.00 179.97 180.38 2pur h ALA 22 N 1.27 1.01 -0.45 2.80 0.00 -1.99 -0.30 119.26 121.60 2pur h ALA 22 Ca 0.26 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 2pur h ALA 22 Cb -0.05 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 2pur h ALA 22 CO -0.08 0.48 -0.26 0.77 0.00 0.00 0.00 179.25 180.16 2pur h SER 23 N 1.08 1.00 -0.73 0.00 0.02 -1.76 -2.53 113.55 110.63 2pur h SER 23 Ca 0.28 -0.40 -0.07 0.00 -0.84 0.00 0.00 61.79 60.77 2pur h SER 23 Cb -0.03 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.20 2pur h SER 23 CO -0.05 1.19 0.20 0.25 -1.14 0.00 0.00 176.83 177.28 2pur h LEU 24 N 0.82 1.09 -0.33 5.07 5.85 -0.74 -1.54 115.31 125.52 2pur h LEU 24 Ca 0.10 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.62 2pur h LEU 24 Cb 0.84 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 2pur h LEU 24 CO 0.07 1.03 0.16 0.50 -0.34 0.00 0.00 178.44 179.86 2pur h LYS 25 N 1.10 0.32 -0.27 1.25 3.64 -0.94 -0.67 116.57 121.00 2pur h LYS 25 Ca 0.23 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.62 2pur h LYS 25 Cb 0.35 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 2pur h LYS 25 CO -0.00 0.21 0.12 -0.22 -2.27 0.00 0.00 179.45 177.29 2pur h LYS 26 N 0.33 0.25 -0.30 1.90 3.64 -1.08 0.19 116.57 121.49 2pur h LYS 26 Ca 0.14 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.53 2pur h LYS 26 Cb 0.07 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 2pur h LYS 26 CO -0.11 0.16 0.13 -0.07 -2.27 0.00 0.00 179.45 177.30 2pur h LEU 27 N 0.25 0.18 -0.40 5.20 3.38 -1.05 -0.34 115.31 122.53 2pur h LEU 27 Ca 0.11 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 2pur h LEU 27 Cb 0.06 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2pur h LEU 27 CO -0.10 0.14 0.17 0.40 0.09 0.00 0.00 178.44 179.15 2pur h ILE 28 N 0.29 1.19 -0.92 1.22 2.04 -0.88 -1.18 117.51 119.27 2pur h ILE 28 Ca 0.13 -0.58 0.08 0.00 1.00 0.00 0.00 64.86 65.48 2pur h ILE 28 Cb 0.06 0.82 -0.07 0.00 -0.74 0.00 0.00 36.82 36.90 2pur h ILE 28 CO -0.10 0.21 0.57 0.44 0.00 0.00 0.00 178.15 179.27 2pur h ASP 29 N 0.51 0.89 -0.56 1.72 3.32 -0.71 -1.03 116.42 120.56 2pur h ASP 29 Ca 0.14 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.21 2pur h ASP 29 Cb 0.18 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 2pur h ASP 29 CO -0.01 0.54 0.35 0.22 -1.72 0.00 0.00 179.24 178.62 2pur h TYR 30 N 1.01 0.73 -0.11 4.55 3.20 -0.63 -1.31 116.97 124.41 2pur h TYR 30 Ca 0.41 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 62.14 2pur h TYR 30 Cb 0.25 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 2pur h TYR 30 CO -0.02 0.48 -0.59 0.45 -1.64 0.00 0.00 178.16 176.84 2pur h HIS 31 N 0.76 0.45 -0.08 -3.82 3.86 -0.63 -0.91 115.15 114.77 2pur h HIS 31 Ca 0.20 -0.17 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2pur h HIS 31 Cb -0.04 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.34 2pur h HIS 31 CO -0.03 0.85 0.04 0.28 0.86 0.00 0.00 177.93 179.93 2pur h VAL 32 N 0.27 1.12 0.00 2.45 2.07 -1.08 -2.49 116.25 118.59 2pur h VAL 32 Ca -0.00 -0.37 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 2pur h VAL 32 Cb 1.10 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 2pur h VAL 32 CO 0.10 0.11 -0.24 0.00 0.02 0.00 0.00 177.57 177.56 2pur h ALA 33 N 0.90 1.27 -0.20 1.67 0.00 -1.05 -3.17 119.26 118.68 2pur h ALA 33 Ca 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2pur h ALA 33 Cb 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2pur h ALA 33 CO -0.00 0.29 0.00 0.43 0.00 0.00 0.00 179.25 179.97 2pur n SER 34 N -3.76 3.08 0.00 0.00 7.64 -0.36 -4.97 113.62 115.24 2pur n SER 34 Ca -0.01 -1.96 0.00 0.00 1.01 0.00 0.00 58.87 57.91 2pur n SER 34 Cb 0.34 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 2pur n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2pur n GLY 35 N 1.41 0.45 3.78 0.23 0.00 -1.07 -3.91 105.19 106.07 2pur n GLY 35 Ca 0.17 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 2pur n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pur s THR 36 N -2.00 2.21 0.10 2.61 2.01 -0.96 -4.84 115.64 114.77 2pur s THR 36 Ca 0.00 0.21 -0.12 0.00 0.31 0.00 0.00 61.69 62.09 2pur s THR 36 Cb 0.00 -3.13 -0.16 0.00 0.01 0.00 0.00 72.50 69.22 2pur s THR 36 CO 0.00 0.05 1.31 0.28 -0.69 0.00 0.00 174.62 175.57 2pur h SER 37 N 3.04 0.94 -5.05 3.53 0.02 -0.68 -3.46 113.55 111.89 2pur h SER 37 Ca -0.50 -0.62 0.08 0.00 -0.84 0.00 0.00 61.79 59.91 2pur h SER 37 Cb 1.24 -0.28 -0.08 0.00 0.14 0.00 0.00 62.40 63.42 2pur h SER 37 CO 0.64 1.42 0.31 0.00 -1.14 0.00 0.00 176.83 178.06 2pur s ALA 38 N -3.74 -1.45 -0.15 3.77 0.00 -1.25 -4.32 121.76 114.61 2pur s ALA 38 Ca -0.10 0.07 0.02 0.00 0.00 0.00 0.00 51.96 51.95 2pur s ALA 38 Cb 0.09 0.77 0.01 0.00 0.00 0.00 0.00 23.12 23.98 2pur s ALA 38 CO 0.91 -0.96 -0.20 0.42 0.00 0.00 0.00 175.76 175.93 2pur s ILE 39 N -3.66 2.22 -0.34 0.00 1.01 -0.22 -1.83 121.20 118.38 2pur s ILE 39 Ca 0.09 -0.92 -0.21 0.00 0.00 0.00 0.00 60.65 59.61 2pur s ILE 39 Cb -0.03 -1.91 -0.00 0.00 0.01 0.00 0.00 42.46 40.53 2pur s ILE 39 CO 0.00 0.54 0.66 -0.69 0.00 0.00 0.00 174.94 175.45 2pur s VAL 40 N 0.89 4.88 -0.22 2.92 1.01 0.01 0.15 120.40 130.05 2pur s VAL 40 Ca -0.05 0.74 -0.12 0.00 0.00 0.00 0.00 61.98 62.55 2pur s VAL 40 Cb -0.15 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 2pur s VAL 40 CO -0.03 -0.27 0.23 -0.55 0.00 0.00 0.00 175.10 174.48 2pur s SER 41 N 1.74 6.23 -1.28 3.32 0.15 0.73 -2.10 113.70 122.50 2pur s SER 41 Ca 0.26 0.26 -0.01 0.00 0.70 0.00 0.00 55.95 57.16 2pur s SER 41 Cb -0.14 -2.14 -0.00 0.00 -1.71 0.00 0.00 66.02 62.02 2pur s SER 41 CO 0.14 0.04 0.75 0.52 1.20 0.00 0.00 173.24 175.88 2pur n VAL 42 N 4.20 -4.87 -0.43 4.45 0.31 -1.26 -0.91 118.33 119.82 2pur n VAL 42 Ca -0.13 -0.54 0.00 0.00 -0.01 0.00 0.00 64.34 63.66 2pur n VAL 42 Cb 0.52 -4.05 0.00 0.00 -0.91 0.00 0.00 33.84 29.40 2pur n VAL 42 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2pur n GLY 43 N -1.51 -0.13 0.24 2.92 0.00 -1.26 -3.96 105.19 101.50 2pur n GLY 43 Ca -0.29 -1.72 -0.05 0.00 0.00 0.00 0.00 46.02 43.96 2pur n GLY 43 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2pur h SER 44 N 0.00 0.67 0.63 1.61 0.02 -1.96 -1.67 113.55 112.85 2pur h SER 44 Ca 0.00 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 2pur h SER 44 Cb 0.00 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 2pur h SER 44 CO 0.00 0.48 -0.18 0.74 -1.14 0.00 0.00 176.83 176.73 2pur h THR 45 N 0.79 0.57 -0.23 -2.27 2.02 -1.87 -1.75 112.91 110.17 2pur h THR 45 Ca 0.23 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.58 2pur h THR 45 Cb -0.05 1.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 2pur h THR 45 CO -0.07 0.17 0.00 0.61 0.37 0.00 0.00 175.52 176.60 2pur n GLY 46 N -0.27 0.86 3.33 2.16 0.00 -0.66 -4.36 105.19 106.24 2pur n GLY 46 Ca -0.01 -0.29 -0.21 0.00 0.00 0.00 0.00 46.02 45.52 2pur n GLY 46 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2pur n GLU 47 N 0.23 -6.94 -0.36 1.61 1.02 -0.66 -4.33 120.64 111.21 2pur n GLU 47 Ca 0.09 0.73 0.27 0.00 -0.02 0.00 0.00 57.16 58.23 2pur n GLU 47 Cb 0.35 -5.49 0.53 0.00 -0.02 0.00 0.00 31.44 26.81 2pur n GLU 47 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2pur h SER 48 N -2.32 0.43 -0.32 1.62 4.64 -1.65 -2.00 113.55 113.95 2pur h SER 48 Ca -0.50 0.15 -0.04 0.00 -0.47 0.00 0.00 61.79 60.92 2pur h SER 48 Cb 1.32 0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 63.49 2pur h SER 48 CO 0.49 -0.09 0.09 0.00 -0.87 0.00 0.00 176.83 176.45 2pur h ALA 49 N 1.72 1.41 -0.19 5.18 0.00 -1.88 -3.27 119.26 122.23 2pur h ALA 49 Ca 0.72 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.47 2pur h ALA 49 Cb 1.88 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.50 2pur h ALA 49 CO -0.47 0.43 0.00 0.25 0.00 0.00 0.00 179.25 179.45 2pur n THR 50 N -4.32 0.63 -3.81 0.00 -2.24 -0.77 -4.91 114.28 98.85 2pur n THR 50 Ca 0.02 -0.81 -0.36 0.00 -2.27 0.00 0.00 64.05 60.63 2pur n THR 50 Cb 0.20 0.76 -0.07 0.00 -2.10 0.00 0.00 70.33 69.12 2pur n THR 50 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2pur s LEU 51 N -0.92 4.32 0.81 3.22 1.43 -1.08 -5.04 118.68 121.42 2pur s LEU 51 Ca 0.16 0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 53.54 2pur s LEU 51 Cb 0.09 -2.10 0.08 0.00 0.03 0.00 0.00 46.19 44.29 2pur s LEU 51 CO 0.13 0.32 1.11 0.54 0.23 0.00 0.00 176.35 178.67 2pur s ASN 52 N -0.48 4.42 0.49 2.29 2.20 -1.26 -4.69 114.94 117.91 2pur s ASN 52 Ca 0.13 1.21 0.14 0.00 -0.94 0.00 0.00 52.86 53.40 2pur s ASN 52 Cb -0.12 -1.92 1.18 0.00 -2.00 0.00 0.00 41.25 38.39 2pur s ASN 52 CO 0.02 -2.00 2.12 0.45 -2.94 0.00 0.00 177.10 174.75 2pur h HIS 53 N -1.11 0.12 -0.21 1.54 3.86 -1.98 0.21 115.15 117.58 2pur h HIS 53 Ca -0.47 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 58.62 2pur h HIS 53 Cb 1.28 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 29.71 2pur h HIS 53 CO 0.43 0.07 -0.34 0.22 0.86 0.00 0.00 177.93 179.18 2pur h ASP 54 N 0.13 0.65 -0.58 2.45 3.58 -1.99 -0.16 116.42 120.51 2pur h ASP 54 Ca 0.05 -0.53 -0.04 0.00 0.42 0.00 0.00 57.03 56.93 2pur h ASP 54 Cb 0.03 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 40.87 2pur h ASP 54 CO -0.01 1.06 0.20 -0.33 -2.88 0.00 0.00 179.24 177.28 2pur h GLU 55 N 0.27 0.89 -0.06 0.28 5.08 -1.65 -1.29 114.58 118.09 2pur h GLU 55 Ca 0.02 -0.18 0.04 0.00 -1.00 0.00 0.00 59.36 58.24 2pur h GLU 55 Cb 0.92 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.98 2pur h GLU 55 CO 0.08 0.78 -0.35 1.25 -1.00 0.00 0.00 179.01 179.77 2pur h HIS 56 N 0.81 -0.98 -0.97 4.33 2.76 -0.57 -1.20 115.15 119.32 2pur h HIS 56 Ca 0.19 0.04 0.05 0.00 -2.20 0.00 0.00 60.37 58.45 2pur h HIS 56 Cb 0.25 0.44 -0.06 0.00 1.55 0.00 0.00 27.41 29.59 2pur h HIS 56 CO 0.01 -0.43 0.63 0.00 -1.30 0.00 0.00 177.93 176.85 2pur h ALA 57 N 0.24 1.41 -0.55 5.26 0.00 -0.90 -1.79 119.26 122.93 2pur h ALA 57 Ca 0.07 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2pur h ALA 57 Cb 0.58 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2pur h ALA 57 CO -0.32 0.47 0.36 -0.44 0.00 0.00 0.00 179.25 179.31 2pur h ASP 58 N 1.17 0.61 -0.52 0.00 3.32 -0.67 0.00 116.42 120.33 2pur h ASP 58 Ca 0.41 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.40 2pur h ASP 58 Cb 0.11 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 2pur h ASP 58 CO -0.15 0.44 0.16 0.58 -1.72 0.00 0.00 179.24 178.55 2pur h VAL 59 N 0.73 1.23 -0.32 -1.35 2.07 -0.68 0.69 116.25 118.61 2pur h VAL 59 Ca 0.20 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 2pur h VAL 59 Cb -0.07 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 2pur h VAL 59 CO -0.05 0.29 0.14 0.58 0.02 0.00 0.00 177.57 178.55 2pur h VAL 60 N 0.72 1.17 -0.72 2.57 2.07 -0.99 -0.15 116.25 120.92 2pur h VAL 60 Ca 0.17 -0.51 -0.06 0.00 0.82 0.00 0.00 66.70 67.12 2pur h VAL 60 Cb 0.29 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 2pur h VAL 60 CO -0.00 0.18 0.23 0.24 0.02 0.00 0.00 177.57 178.24 2pur h MET 61 N 0.38 1.12 -0.82 1.57 2.07 -0.81 -0.15 114.93 118.29 2pur h MET 61 Ca 0.11 -0.24 -0.04 0.00 -2.07 0.00 0.00 59.70 57.46 2pur h MET 61 Cb 0.15 -0.16 -0.04 0.00 -1.87 0.00 0.00 31.60 29.68 2pur h MET 61 CO -0.01 0.96 0.37 1.98 1.07 0.00 0.00 176.91 181.27 2pur h MET 62 N 1.07 1.19 -0.47 1.72 -1.53 -0.68 -0.94 114.93 115.29 2pur h MET 62 Ca 0.23 -0.19 -0.06 0.00 -3.44 0.00 0.00 59.70 56.24 2pur h MET 62 Cb 0.30 -0.21 -0.02 0.00 -0.55 0.00 0.00 31.60 31.13 2pur h MET 62 CO -0.01 0.94 0.05 1.15 0.14 0.00 0.00 176.91 179.18 2pur h THR 63 N 1.17 1.25 -0.32 -0.77 2.02 -0.46 -0.38 112.91 115.43 2pur h THR 63 Ca 0.28 -0.96 0.01 0.00 0.77 0.00 0.00 66.41 66.51 2pur h THR 63 Cb 0.16 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 2pur h THR 63 CO -0.03 0.34 0.19 -0.07 0.37 0.00 0.00 175.52 176.31 2pur h LEU 64 N 0.65 0.31 0.27 2.58 3.38 -0.78 0.29 115.31 122.00 2pur h LEU 64 Ca 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2pur h LEU 64 Cb 0.42 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2pur h LEU 64 CO 0.01 0.22 -0.20 -0.78 0.09 0.00 0.00 178.44 177.79 2pur h ASP 65 N 0.38 -0.51 -0.73 -0.43 3.58 -0.95 -0.74 116.42 117.03 2pur h ASP 65 Ca 0.12 0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.58 2pur h ASP 65 Cb -0.01 0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.17 2pur h ASP 65 CO -0.05 -0.31 0.34 -0.07 -2.88 0.00 0.00 179.24 176.27 2pur h LEU 66 N -0.47 0.98 -0.99 2.28 3.38 -1.02 -2.24 115.31 117.23 2pur h LEU 66 Ca -0.02 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2pur h LEU 66 Cb 0.41 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 2pur h LEU 66 CO -0.00 0.84 0.55 0.00 0.09 0.00 0.00 178.44 179.91 2pur h ALA 67 N 1.31 1.24 -6.26 1.53 0.00 -0.66 -3.46 119.26 112.96 2pur h ALA 67 Ca 0.26 -0.10 -0.47 0.00 0.00 0.00 0.00 54.91 54.59 2pur h ALA 67 Cb 0.13 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2pur h ALA 67 CO -0.03 0.65 -0.76 -3.47 0.00 0.00 0.00 179.25 175.64 2pur n ASP 68 N -4.35 -4.76 0.00 0.00 2.03 -0.31 -1.27 116.55 107.89 2pur n ASP 68 Ca 0.10 -0.76 0.00 0.00 0.52 0.00 0.00 54.79 54.65 2pur n ASP 68 Cb 0.06 -3.98 0.00 0.00 -0.72 0.00 0.00 41.12 36.48 2pur n ASP 68 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2pur n GLY 69 N -1.71 1.41 0.17 0.27 0.00 -1.26 -4.90 105.19 99.18 2pur n GLY 69 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.17 2pur n GLY 69 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2pur h ARG 70 N 2.78 0.00 -2.21 1.61 3.08 -1.55 -3.45 114.38 114.63 2pur h ARG 70 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 2pur h ARG 70 Cb 0.00 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 29.82 2pur h ARG 70 CO 0.00 0.00 -0.05 -1.50 -1.07 0.00 0.00 179.97 177.35 2pur s ILE 71 N -3.18 -0.01 0.53 2.04 2.07 -1.26 -4.96 121.20 116.44 2pur s ILE 71 Ca 0.08 0.02 -0.21 0.00 -1.41 0.00 0.00 60.65 59.13 2pur s ILE 71 Cb 0.08 -0.87 -0.05 0.00 0.13 0.00 0.00 42.46 41.74 2pur s ILE 71 CO 0.65 0.01 1.23 -2.84 -1.91 0.00 0.00 174.94 172.07 2pur s PRO 72 N 1.20 3.32 -0.10 3.50 0.02 -1.26 -4.89 135.00 136.80 2pur s PRO 72 Ca -0.07 1.90 0.04 0.00 0.02 0.00 0.00 61.00 62.88 2pur s PRO 72 Cb -0.06 -2.19 0.00 0.00 0.02 0.00 0.00 34.50 32.28 2pur s PRO 72 CO -0.12 -0.95 -0.22 0.08 -0.33 0.00 0.00 177.00 175.46 2pur s VAL 73 N -1.51 1.91 -0.16 3.83 1.01 -1.26 -1.05 120.40 123.17 2pur s VAL 73 Ca 0.71 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 61.72 2pur s VAL 73 Cb -0.32 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 2pur s VAL 73 CO 0.37 0.53 -0.04 -0.63 0.00 0.00 0.00 175.10 175.33 2pur s ILE 74 N 0.42 3.85 -0.09 2.22 1.01 0.12 -1.27 121.20 127.45 2pur s ILE 74 Ca -0.18 -0.37 -0.18 0.00 0.00 0.00 0.00 60.65 59.93 2pur s ILE 74 Cb -0.18 -2.68 -0.05 0.00 0.01 0.00 0.00 42.46 39.56 2pur s ILE 74 CO 0.08 0.49 0.46 0.00 0.00 0.00 0.00 174.94 175.97 2pur s ALA 75 N 0.40 3.52 0.14 9.38 0.00 -0.56 -0.19 121.76 134.44 2pur s ALA 75 Ca -0.04 -0.19 -0.31 0.00 0.00 0.00 0.00 51.96 51.41 2pur s ALA 75 Cb -0.14 -2.60 -0.09 0.00 0.00 0.00 0.00 23.12 20.28 2pur s ALA 75 CO 0.03 0.09 1.54 0.20 0.00 0.00 0.00 175.76 177.62 2pur s GLY 76 N 0.30 1.64 -0.03 0.00 0.00 -0.08 -0.73 107.32 108.42 2pur s GLY 76 Ca 0.25 1.30 0.05 0.00 0.00 0.00 0.00 44.72 46.32 2pur s GLY 76 CO 0.11 2.60 1.00 -1.30 0.00 0.00 0.00 173.10 175.50 2pur n THR 77 N 4.04 0.49 -2.38 0.90 -2.24 -0.40 -4.88 114.28 109.80 2pur n THR 77 Ca 0.14 -0.58 -0.38 0.00 -2.27 0.00 0.00 64.05 60.96 2pur n THR 77 Cb 0.39 0.36 -0.03 0.00 -2.10 0.00 0.00 70.33 68.96 2pur n THR 77 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2pur s GLY 78 N -1.38 2.84 0.01 3.38 0.00 -1.24 -4.71 107.32 106.22 2pur s GLY 78 Ca 0.08 0.88 -0.19 0.00 0.00 0.00 0.00 44.72 45.49 2pur s GLY 78 CO 0.01 1.37 0.41 0.00 0.00 0.00 0.00 173.10 174.90 2pur s ALA 79 N -1.47 -1.03 -1.98 3.20 0.00 -1.26 -4.90 121.76 114.32 2pur s ALA 79 Ca 0.56 0.45 0.29 0.00 0.00 0.00 0.00 51.96 53.26 2pur s ALA 79 Cb -0.28 0.21 1.27 0.00 0.00 0.00 0.00 23.12 24.32 2pur s ALA 79 CO 0.35 -0.38 1.87 0.27 0.00 0.00 0.00 175.76 177.88 2pur n ASN 80 N 0.80 0.73 -4.34 0.00 6.94 -1.26 -4.46 115.26 113.67 2pur n ASN 80 Ca -0.20 -0.96 -0.34 0.00 -0.02 0.00 0.00 54.58 53.06 2pur n ASN 80 Cb 0.58 -0.02 -0.14 0.00 -2.36 0.00 0.00 39.78 37.84 2pur n ASN 80 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2pur s ALA 81 N -2.24 2.67 0.27 -2.53 0.00 -1.26 -4.84 121.76 113.84 2pur s ALA 81 Ca 0.35 -0.98 -0.04 0.00 0.00 0.00 0.00 51.96 51.29 2pur s ALA 81 Cb 0.21 -1.36 0.36 0.00 0.00 0.00 0.00 23.12 22.32 2pur s ALA 81 CO 0.42 0.02 1.92 1.15 0.00 0.00 0.00 175.76 179.26 2pur h THR 82 N 5.51 1.23 -0.88 0.00 2.02 -1.95 -1.17 112.91 117.67 2pur h THR 82 Ca -0.32 -0.52 -0.03 0.00 0.77 0.00 0.00 66.41 66.32 2pur h THR 82 Cb 1.19 0.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 2pur h THR 82 CO 0.58 0.25 0.45 0.00 0.37 0.00 0.00 175.52 177.16 2pur h ALA 83 N 1.40 1.13 -0.35 6.16 0.00 -1.96 -1.54 119.26 124.10 2pur h ALA 83 Ca 0.30 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2pur h ALA 83 Cb -0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 2pur h ALA 83 CO -0.05 0.67 -0.07 0.93 0.00 0.00 0.00 179.25 180.72 2pur h GLU 84 N 1.24 0.66 -0.45 0.00 4.39 -1.69 -0.85 114.58 117.89 2pur h GLU 84 Ca 0.30 -0.25 0.07 0.00 0.34 0.00 0.00 59.36 59.82 2pur h GLU 84 Cb 0.08 -0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 28.63 2pur h GLU 84 CO -0.04 0.82 0.11 0.00 -1.16 0.00 0.00 179.01 178.74 2pur h ALA 85 N 0.82 0.50 -0.23 3.43 0.00 -0.97 0.12 119.26 122.93 2pur h ALA 85 Ca 0.09 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2pur h ALA 85 Cb 0.57 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2pur h ALA 85 CO 0.03 -0.29 0.15 0.82 0.00 0.00 0.00 179.25 179.96 2pur h ILE 86 N 0.25 1.07 -0.57 0.00 2.04 -1.15 -0.75 117.51 118.40 2pur h ILE 86 Ca 0.22 -0.15 -0.06 0.00 1.00 0.00 0.00 64.86 65.87 2pur h ILE 86 Cb 0.26 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 2pur h ILE 86 CO -0.27 0.07 0.14 0.77 0.00 0.00 0.00 178.15 178.86 2pur h SER 87 N 0.30 0.86 -0.72 1.72 4.64 -0.74 -1.75 113.55 117.86 2pur h SER 87 Ca 0.08 -0.23 -0.04 0.00 -0.47 0.00 0.00 61.79 61.13 2pur h SER 87 Cb -0.01 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 61.82 2pur h SER 87 CO -0.02 0.87 0.32 0.25 -0.87 0.00 0.00 176.83 177.38 2pur h LEU 88 N 0.81 0.98 -0.77 5.97 5.85 -0.64 -2.52 115.31 124.99 2pur h LEU 88 Ca 0.18 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 2pur h LEU 88 Cb 0.35 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 2pur h LEU 88 CO 0.00 0.85 0.31 0.74 -0.34 0.00 0.00 178.44 180.01 2pur h THR 89 N 1.05 1.26 -0.04 1.05 2.02 -0.54 -2.37 112.91 115.35 2pur h THR 89 Ca 0.25 -0.80 -0.03 0.00 0.77 0.00 0.00 66.41 66.60 2pur h THR 89 Cb 0.16 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 2pur h THR 89 CO -0.03 0.33 -0.12 1.56 0.37 0.00 0.00 175.52 177.63 2pur h GLN 90 N 1.11 0.06 -0.01 6.66 1.08 -0.90 -0.94 115.11 122.18 2pur h GLN 90 Ca 0.26 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.45 2pur h GLN 90 Cb 0.21 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.62 2pur h GLN 90 CO -0.02 0.18 0.05 0.00 -0.95 0.00 0.00 178.83 178.09 2pur h ARG 91 N 0.06 0.00 -0.03 1.46 3.08 -1.25 -2.58 114.38 115.12 2pur h ARG 91 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2pur h ARG 91 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2pur h ARG 91 CO 0.02 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.11 2pur n PHE 92 N -3.18 0.02 -2.02 3.04 3.72 -0.36 -4.89 117.46 113.79 2pur n PHE 92 Ca -0.03 -0.02 -0.42 0.00 -0.05 0.00 0.00 57.45 56.94 2pur n PHE 92 Cb 0.12 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.63 2pur n PHE 92 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2pur s ASN 93 N -1.11 6.67 -1.85 4.37 0.01 -0.97 -1.75 114.94 120.30 2pur s ASN 93 Ca 0.16 2.59 0.00 0.00 -0.71 0.00 0.00 52.86 54.90 2pur s ASN 93 Cb 0.11 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 39.16 2pur s ASN 93 CO 0.17 -0.73 0.00 0.47 -1.51 0.00 0.00 177.10 175.50 2pur n ASP 94 N 3.08 -5.80 0.10 -1.22 8.00 -1.26 -4.88 116.55 114.57 2pur n ASP 94 Ca 0.10 0.08 0.07 0.00 0.71 0.00 0.00 54.79 55.75 2pur n ASP 94 Cb 0.40 -4.87 -0.00 0.00 -0.02 0.00 0.00 41.12 36.63 2pur n ASP 94 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 2pur h SER 95 N 0.00 0.00 0.00 -2.24 4.64 -1.69 -3.48 113.55 110.79 2pur h SER 95 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2pur h SER 95 Cb 1.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 2pur h SER 95 CO 0.59 0.23 0.00 0.61 -0.87 0.00 0.00 176.83 177.38 2pur n GLY 96 N 1.24 1.55 3.74 -0.77 0.00 -1.26 -5.05 105.19 104.65 2pur n GLY 96 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 2pur n GLY 96 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2pur s ILE 97 N -2.25 2.28 -0.71 -0.61 -4.36 -1.26 -4.79 121.20 109.50 2pur s ILE 97 Ca 0.00 0.17 0.23 0.00 -0.26 0.00 0.00 60.65 60.79 2pur s ILE 97 Cb 0.00 -3.06 -0.10 0.00 1.25 0.00 0.00 42.46 40.56 2pur s ILE 97 CO 0.00 -0.04 1.09 1.33 0.24 0.00 0.00 174.94 177.56 2pur n VAL 98 N -1.81 0.14 0.00 8.37 0.24 -0.40 -4.98 118.33 119.90 2pur n VAL 98 Ca 0.15 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 2pur n VAL 98 Cb 0.49 0.27 0.00 0.00 -1.47 0.00 0.00 33.84 33.12 2pur n VAL 98 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2pur n GLY 99 N 1.40 -0.76 3.25 7.63 0.00 -1.26 -4.30 105.19 111.16 2pur n GLY 99 Ca 0.03 -1.00 -0.25 0.00 0.00 0.00 0.00 46.02 44.79 2pur n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pur s LEU 101 N -1.19 3.72 -0.21 0.00 2.96 0.09 -0.18 118.68 123.87 2pur s LEU 101 Ca 0.07 -0.92 0.01 0.00 -0.22 0.00 0.00 54.13 53.08 2pur s LEU 101 Cb -0.09 -1.78 0.05 0.00 0.50 0.00 0.00 46.19 44.86 2pur s LEU 101 CO 0.02 -0.20 -0.10 0.28 -1.32 0.00 0.00 176.35 175.02 2pur s THR 102 N 1.39 1.70 0.41 3.68 -1.32 -0.01 -1.28 115.64 120.21 2pur s THR 102 Ca -0.00 -1.10 -0.23 0.00 -1.21 0.00 0.00 61.69 59.15 2pur s THR 102 Cb -0.18 -1.80 -0.10 0.00 -1.51 0.00 0.00 72.50 68.92 2pur s THR 102 CO -0.00 0.13 0.98 0.54 -2.21 0.00 0.00 174.62 174.06 2pur s VAL 103 N 1.36 4.12 0.24 5.08 0.11 -1.26 -1.80 120.40 128.24 2pur s VAL 103 Ca -0.02 1.48 -0.31 0.00 -2.93 0.00 0.00 61.98 60.19 2pur s VAL 103 Cb -0.17 -3.69 -0.14 0.00 -1.53 0.00 0.00 36.38 30.86 2pur s VAL 103 CO -0.08 -0.13 1.38 0.35 -3.33 0.00 0.00 175.10 173.29 2pur n THR 104 N -0.30 0.97 -1.55 5.04 -2.24 -0.38 -4.54 114.28 111.28 2pur n THR 104 Ca 0.06 -0.24 -0.54 0.00 -2.27 0.00 0.00 64.05 61.06 2pur n THR 104 Cb 0.52 -1.42 -0.06 0.00 -2.10 0.00 0.00 70.33 67.26 2pur n THR 104 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2pur n PRO 105 N 1.97 0.69 -3.63 -0.78 -0.02 -1.26 -4.93 135.00 127.04 2pur n PRO 105 Ca 0.12 0.25 -0.31 0.00 -2.02 0.00 0.00 63.50 61.54 2pur n PRO 105 Cb 0.31 -1.79 -0.04 0.00 -0.02 0.00 0.00 33.50 31.96 2pur n PRO 105 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 2pur s TYR 106 N 0.14 3.47 0.00 6.00 -0.85 -1.26 -4.47 117.35 120.38 2pur s TYR 106 Ca 0.84 0.55 0.00 0.00 -0.52 0.00 0.00 57.07 57.94 2pur s TYR 106 Cb -1.05 -2.00 0.00 0.00 0.38 0.00 0.00 41.96 39.29 2pur s TYR 106 CO 0.52 0.39 0.00 0.98 -1.52 0.00 0.00 175.55 175.92 2pur n TYR 107 N -0.15 0.00 1.31 -3.49 9.36 -0.54 -4.60 117.16 119.05 2pur n TYR 107 Ca -0.02 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.33 2pur n TYR 107 Cb 0.52 0.00 0.44 0.00 -0.63 0.00 0.00 39.34 39.67 2pur n TYR 107 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2pur n ASN 108 N 1.99 1.00 -3.78 2.98 0.23 -1.26 -4.99 115.26 111.42 2pur n ASN 108 Ca 0.00 -0.93 -0.34 0.00 -0.53 0.00 0.00 54.58 52.78 2pur n ASN 108 Cb 0.00 0.08 0.03 0.00 -2.08 0.00 0.00 39.78 37.82 2pur n ASN 108 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2pur n ARG 109 N -0.58 -1.25 -1.07 -3.83 1.74 -1.26 -4.93 116.66 105.48 2pur n ARG 109 Ca 0.13 0.38 -0.32 0.00 -0.77 0.00 0.00 57.85 57.28 2pur n ARG 109 Cb 0.34 -3.87 0.12 0.00 -1.02 0.00 0.00 32.46 28.03 2pur n ARG 109 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2pur s PRO 110 N -6.31 1.71 1.05 5.56 0.04 -1.26 -5.03 135.00 130.75 2pur s PRO 110 Ca 0.43 1.46 -0.14 0.00 0.04 0.00 0.00 61.00 62.79 2pur s PRO 110 Cb -0.17 -1.81 0.21 0.00 0.04 0.00 0.00 34.50 32.77 2pur s PRO 110 CO 0.89 -2.10 1.10 -1.54 0.04 0.00 0.00 177.00 175.39 2pur s SER 111 N -2.78 2.22 0.26 6.66 1.04 -1.26 -4.77 113.70 115.08 2pur s SER 111 Ca 0.66 1.01 -0.02 0.00 0.48 0.00 0.00 55.95 58.08 2pur s SER 111 Cb -0.22 -1.56 0.40 0.00 0.10 0.00 0.00 66.02 64.74 2pur s SER 111 CO 0.54 -3.36 1.88 1.56 0.98 0.00 0.00 173.24 174.84 2pur h GLN 112 N -2.05 1.14 -0.68 4.02 1.08 -1.95 0.63 115.11 117.30 2pur h GLN 112 Ca -0.52 -0.07 -0.04 0.00 -1.45 0.00 0.00 58.65 56.57 2pur h GLN 112 Cb 1.32 -0.26 -0.03 0.00 -0.05 0.00 0.00 27.48 28.47 2pur h GLN 112 CO 0.52 0.75 0.26 1.49 -0.95 0.00 0.00 178.83 180.91 2pur h GLU 113 N 1.17 1.02 -0.30 1.46 4.57 -1.99 0.05 114.58 120.56 2pur h GLU 113 Ca 0.43 -0.19 0.04 0.00 -1.18 0.00 0.00 59.36 58.46 2pur h GLU 113 Cb 0.17 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.56 2pur h GLU 113 CO -0.17 0.85 0.08 0.78 -1.18 0.00 0.00 179.01 179.36 2pur h GLY 114 N 0.97 0.35 1.01 1.92 0.00 -1.71 -0.19 103.07 105.41 2pur h GLY 114 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.52 2pur h GLY 114 CO -0.02 0.00 0.47 1.41 0.00 0.00 0.00 176.54 178.40 2pur h LEU 115 N 0.19 0.87 -0.18 3.11 3.38 -0.66 -0.24 115.31 121.78 2pur h LEU 115 Ca 0.14 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.10 2pur h LEU 115 Cb 0.13 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2pur h LEU 115 CO -0.17 0.65 -0.02 0.22 0.09 0.00 0.00 178.44 179.21 2pur h TYR 116 N 1.00 -0.05 -0.31 1.13 3.20 -0.65 -1.75 116.97 119.55 2pur h TYR 116 Ca 0.27 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 62.04 2pur h TYR 116 Cb -0.08 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 2pur h TYR 116 CO -0.02 -0.05 -0.26 1.96 -1.64 0.00 0.00 178.16 178.16 2pur h GLN 117 N 0.03 0.62 0.65 1.82 1.08 -0.67 -1.15 115.11 117.49 2pur h GLN 117 Ca 0.09 -0.25 -0.03 0.00 -1.45 0.00 0.00 58.65 57.01 2pur h GLN 117 Cb 0.12 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 2pur h GLN 117 CO -0.16 0.82 -0.48 1.25 -0.95 0.00 0.00 178.83 179.30 2pur h HIS 118 N 0.54 -1.31 -0.16 2.96 2.76 -0.90 -1.60 115.15 117.44 2pur h HIS 118 Ca 0.07 -0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.12 2pur h HIS 118 Cb 0.72 0.49 -0.01 0.00 1.55 0.00 0.00 27.41 30.16 2pur h HIS 118 CO 0.03 -0.69 -0.42 0.74 -1.30 0.00 0.00 177.93 176.29 2pur h PHE 119 N -1.09 0.45 -0.38 5.26 0.04 -1.30 -1.97 116.94 117.95 2pur h PHE 119 Ca -0.09 -0.13 -0.01 0.00 2.80 0.00 0.00 57.97 60.55 2pur h PHE 119 Cb 0.90 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.93 2pur h PHE 119 CO -0.16 0.74 0.21 -0.22 -0.60 0.00 0.00 178.31 178.28 2pur h LYS 120 N 0.31 0.53 -0.54 1.51 3.64 -1.20 -0.87 116.57 119.96 2pur h LYS 120 Ca 0.03 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 2pur h LYS 120 Cb 0.87 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 2pur h LYS 120 CO 0.07 0.43 0.09 0.00 -2.27 0.00 0.00 179.45 177.78 2pur h ALA 121 N 1.07 0.71 -0.24 5.00 0.00 -1.07 -0.93 119.26 123.80 2pur h ALA 121 Ca 0.13 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.82 2pur h ALA 121 Cb 0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2pur h ALA 121 CO -0.02 0.45 0.13 0.82 0.00 0.00 0.00 179.25 180.62 2pur h ILE 122 N 0.77 1.01 -0.37 0.00 2.04 -1.16 -2.78 117.51 117.02 2pur h ILE 122 Ca 0.16 -0.09 -0.08 0.00 1.00 0.00 0.00 64.86 65.85 2pur h ILE 122 Cb 0.40 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 2pur h ILE 122 CO 0.01 0.05 -0.10 0.00 0.00 0.00 0.00 178.15 178.11 2pur h ALA 123 N 1.11 1.12 -0.67 1.87 0.00 -0.90 -2.94 119.26 118.87 2pur h ALA 123 Ca 0.10 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.72 2pur h ALA 123 Cb 0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2pur h ALA 123 CO -0.06 0.55 0.44 1.49 0.00 0.00 0.00 179.25 181.68 2pur h GLU 124 N 0.59 0.87 -0.74 0.00 4.57 -0.89 -3.11 114.58 115.88 2pur h GLU 124 Ca 0.11 -0.05 -0.16 0.00 -1.18 0.00 0.00 59.36 58.08 2pur h GLU 124 Cb 0.53 -0.20 -0.09 0.00 -0.16 0.00 0.00 28.75 28.83 2pur h GLU 124 CO 0.03 0.58 0.20 0.72 -1.18 0.00 0.00 179.01 179.36 2pur n HIS 125 N -4.44 2.26 -3.75 0.92 8.25 -1.11 -4.87 115.22 112.48 2pur n HIS 125 Ca 0.07 -1.03 -0.11 0.00 -0.26 0.00 0.00 57.72 56.39 2pur n HIS 125 Cb 0.04 -0.62 -0.07 0.00 1.12 0.00 0.00 29.99 30.46 2pur n HIS 125 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2pur s THR 126 N -2.79 0.09 -1.27 1.59 -1.32 -1.18 -4.88 115.64 105.88 2pur s THR 126 Ca 0.52 -0.75 0.24 0.00 -1.21 0.00 0.00 61.69 60.49 2pur s THR 126 Cb 0.41 -1.05 0.01 0.00 -1.51 0.00 0.00 72.50 70.35 2pur s THR 126 CO 0.13 -0.42 1.30 0.47 -2.21 0.00 0.00 174.62 173.90 2pur n ASP 127 N 0.31 0.88 -4.76 8.08 8.00 -1.26 -4.92 116.55 122.89 2pur n ASP 127 Ca -0.17 -0.69 -0.41 0.00 0.71 0.00 0.00 54.79 54.23 2pur n ASP 127 Cb 0.61 0.42 -0.04 0.00 -0.02 0.00 0.00 41.12 42.09 2pur n ASP 127 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2pur s LEU 128 N -2.84 4.50 0.27 0.64 1.43 -1.26 -4.98 118.68 116.44 2pur s LEU 128 Ca 0.14 2.34 -0.30 0.00 -1.03 0.00 0.00 54.13 55.28 2pur s LEU 128 Cb 0.18 -3.63 -0.13 0.00 0.03 0.00 0.00 46.19 42.64 2pur s LEU 128 CO 0.69 -0.28 1.31 -2.65 0.23 0.00 0.00 176.35 175.65 2pur n PRO 129 N 1.46 1.91 -4.66 1.29 -0.02 -1.26 -4.86 135.00 128.86 2pur n PRO 129 Ca 0.01 0.68 -0.33 0.00 -2.02 0.00 0.00 63.50 61.83 2pur n PRO 129 Cb 0.44 -2.27 -0.14 0.00 -0.02 0.00 0.00 33.50 31.51 2pur n PRO 129 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2pur s GLN 130 N -0.91 3.42 -0.28 -0.52 -1.52 0.97 -0.80 119.66 120.03 2pur s GLN 130 Ca 0.64 -0.66 -0.06 0.00 -1.95 0.00 0.00 55.36 53.33 2pur s GLN 130 Cb -0.65 -2.69 0.00 0.00 -0.22 0.00 0.00 33.01 29.45 2pur s GLN 130 CO 0.54 0.19 0.05 0.42 -0.25 0.00 0.00 175.29 176.24 2pur s ILE 131 N 0.43 3.82 0.70 1.08 1.01 0.75 -1.16 121.20 127.83 2pur s ILE 131 Ca -0.09 -0.65 -0.13 0.00 0.00 0.00 0.00 60.65 59.78 2pur s ILE 131 Cb -0.16 -2.92 0.02 0.00 0.01 0.00 0.00 42.46 39.41 2pur s ILE 131 CO 0.05 0.16 1.11 -0.76 0.00 0.00 0.00 174.94 175.49 2pur s LEU 132 N 1.49 3.26 -0.12 2.97 1.43 -0.20 -0.83 118.68 126.67 2pur s LEU 132 Ca 0.03 1.97 -0.04 0.00 -1.03 0.00 0.00 54.13 55.07 2pur s LEU 132 Cb -0.17 -4.54 0.06 0.00 0.03 0.00 0.00 46.19 41.57 2pur s LEU 132 CO 0.01 -1.83 0.16 -0.47 0.23 0.00 0.00 176.35 174.45 2pur s TYR 133 N -2.50 -0.15 -0.18 0.29 5.04 -0.75 -4.28 117.35 114.84 2pur s TYR 133 Ca 0.66 0.38 -0.00 0.00 -2.44 0.00 0.00 57.07 55.66 2pur s TYR 133 Cb -0.20 -0.35 0.01 0.00 0.35 0.00 0.00 41.96 41.77 2pur s TYR 133 CO 0.47 -0.38 -0.16 1.21 -1.34 0.00 0.00 175.55 175.34 2pur s ASN 134 N 2.28 3.53 -0.46 4.32 2.47 -1.26 -1.25 114.94 124.56 2pur s ASN 134 Ca 0.04 -0.54 0.07 0.00 0.42 0.00 0.00 52.86 52.85 2pur s ASN 134 Cb -0.13 -1.55 0.24 0.00 -1.45 0.00 0.00 41.25 38.35 2pur s ASN 134 CO -0.08 0.03 0.75 0.55 -3.72 0.00 0.00 177.10 174.64 2pur n VAL 135 N 4.42 -0.24 -0.16 -5.21 3.14 -1.26 -0.75 118.33 118.26 2pur n VAL 135 Ca -0.20 -2.23 0.22 0.00 -2.96 0.00 0.00 64.34 59.17 2pur n VAL 135 Cb 0.51 0.38 0.62 0.00 -1.06 0.00 0.00 33.84 34.28 2pur n VAL 135 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 2pur h PRO 136 N 4.14 0.18 0.00 1.45 0.11 -1.89 -1.38 132.00 134.62 2pur h PRO 136 Ca -0.06 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.00 2pur h PRO 136 Cb 0.99 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 2pur h PRO 136 CO 0.34 0.12 -0.18 0.77 -0.21 0.00 0.00 178.00 178.84 2pur h SER 137 N 0.19 0.00 0.29 -2.05 0.02 -1.93 -1.34 113.55 108.74 2pur h SER 137 Ca 0.40 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 61.02 2pur h SER 137 Cb 1.28 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.76 2pur h SER 137 CO -0.08 0.18 -1.98 0.54 -1.14 0.00 0.00 176.83 174.35 2pur n ARG 138 N -3.98 0.66 -0.04 3.45 1.74 -0.56 -4.68 116.66 113.25 2pur n ARG 138 Ca -0.02 0.18 0.02 0.00 -0.77 0.00 0.00 57.85 57.26 2pur n ARG 138 Cb 0.27 -1.68 -0.13 0.00 -1.02 0.00 0.00 32.46 29.89 2pur n ARG 138 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2pur n THR 139 N -2.94 0.42 -1.00 0.55 -2.24 -0.93 -4.80 114.28 103.34 2pur n THR 139 Ca -0.24 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 2pur n THR 139 Cb 1.09 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 2pur n THR 139 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pur n GLY 140 N 1.69 0.56 3.14 3.38 0.00 -0.53 -1.47 105.19 111.98 2pur n GLY 140 Ca -0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 2pur n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pur s ASP 142 N -2.96 2.82 -0.50 0.00 -1.08 -1.26 -3.65 116.67 110.03 2pur s ASP 142 Ca 0.14 -0.79 -0.28 0.00 -0.52 0.00 0.00 52.55 51.10 2pur s ASP 142 Cb 0.07 -0.54 0.02 0.00 -1.46 0.00 0.00 42.92 41.00 2pur s ASP 142 CO -0.05 -0.31 1.36 -0.22 0.52 0.00 0.00 175.17 176.47 2pur s LEU 143 N 1.90 3.50 0.45 -1.34 2.96 -1.26 -4.97 118.68 119.92 2pur s LEU 143 Ca -0.01 0.48 -0.15 0.00 -0.22 0.00 0.00 54.13 54.23 2pur s LEU 143 Cb -0.17 -3.29 -0.08 0.00 0.50 0.00 0.00 46.19 43.15 2pur s LEU 143 CO -0.08 -1.54 0.88 -0.76 -1.32 0.00 0.00 176.35 173.53 2pur s LEU 144 N 5.57 3.76 0.31 -0.68 1.43 -1.26 -4.86 118.68 122.95 2pur s LEU 144 Ca 0.54 1.40 0.08 0.00 -1.03 0.00 0.00 54.13 55.12 2pur s LEU 144 Cb -0.11 -4.30 0.83 0.00 0.03 0.00 0.00 46.19 42.64 2pur s LEU 144 CO 0.29 -0.47 1.73 -0.65 0.23 0.00 0.00 176.35 177.48 2pur h PRO 145 N 1.24 0.57 -0.79 1.29 0.11 -1.94 -0.67 132.00 131.81 2pur h PRO 145 Ca -0.47 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.68 2pur h PRO 145 Cb 1.18 -0.13 -0.07 0.00 0.11 0.00 0.00 31.00 32.10 2pur h PRO 145 CO 0.63 0.38 0.45 1.49 -0.21 0.00 0.00 178.00 180.74 2pur h GLU 146 N 0.59 0.77 0.02 1.05 4.81 -1.93 0.20 114.58 120.09 2pur h GLU 146 Ca 0.62 -0.05 -0.21 0.00 -0.13 0.00 0.00 59.36 59.59 2pur h GLU 146 Cb 1.13 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 2pur h GLU 146 CO -0.46 0.51 -0.93 1.15 -0.73 0.00 0.00 179.01 178.54 2pur h THR 147 N 0.79 1.53 -0.75 0.32 2.02 -1.53 -1.96 112.91 113.33 2pur h THR 147 Ca 0.37 -2.78 0.01 0.00 0.77 0.00 0.00 66.41 64.78 2pur h THR 147 Cb 0.29 2.57 -0.04 0.00 -1.74 0.00 0.00 68.15 69.23 2pur h THR 147 CO -0.22 0.81 0.49 0.58 0.37 0.00 0.00 175.52 177.55 2pur h VAL 148 N 0.08 1.17 -0.78 3.16 2.07 -0.67 -1.49 116.25 119.80 2pur h VAL 148 Ca -0.05 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 2pur h VAL 148 Cb 1.59 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 2pur h VAL 148 CO 0.14 0.18 0.46 1.23 0.02 0.00 0.00 177.57 179.60 2pur h GLY 149 N 0.99 1.13 0.95 2.17 0.00 -0.61 0.83 103.07 108.53 2pur h GLY 149 Ca 0.28 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 2pur h GLY 149 CO -0.07 0.46 0.11 3.21 0.00 0.00 0.00 176.54 180.25 2pur h ARG 150 N 1.06 0.27 -0.13 4.80 3.08 -1.06 -3.07 114.38 119.34 2pur h ARG 150 Ca 0.28 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.22 2pur h ARG 150 Cb -0.03 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 2pur h ARG 150 CO -0.05 0.25 -0.27 -0.07 -1.07 0.00 0.00 179.97 178.75 2pur h LEU 151 N 0.22 0.24 -2.16 3.04 3.38 -0.83 -2.72 115.31 116.48 2pur h LEU 151 Ca 0.07 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2pur h LEU 151 Cb 0.05 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2pur h LEU 151 CO -0.01 0.52 0.00 0.00 0.09 0.00 0.00 178.44 179.03 2pur h ALA 152 N 1.51 1.00 0.00 1.53 0.00 -0.74 -0.53 119.26 122.02 2pur h ALA 152 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2pur h ALA 152 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2pur h ALA 152 CO 0.04 0.00 0.00 0.87 0.00 0.00 0.00 179.25 180.16 2pur h LYS 153 N 0.00 0.00 -6.36 0.00 1.57 -1.54 -3.43 116.57 106.81 2pur h LYS 153 Ca 0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 2pur h LYS 153 Cb 0.16 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2pur h LYS 153 CO 0.00 0.00 0.62 0.08 -0.57 0.00 0.00 179.45 179.58 2pur s VAL 154 N -3.28 4.31 0.21 0.50 1.01 -0.21 -4.94 120.40 118.00 2pur s VAL 154 Ca 0.06 1.64 -0.16 0.00 0.00 0.00 0.00 61.98 63.52 2pur s VAL 154 Cb 0.10 -4.05 0.21 0.00 0.00 0.00 0.00 36.38 32.64 2pur s VAL 154 CO 0.48 0.05 1.61 0.50 0.00 0.00 0.00 175.10 177.74 2pur h LYS 155 N 7.18 -0.06 -0.66 2.72 1.63 -1.87 -1.43 116.57 124.09 2pur h LYS 155 Ca -0.37 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.44 2pur h LYS 155 Cb 1.18 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 2pur h LYS 155 CO 0.85 -0.04 0.00 0.27 -3.45 0.00 0.00 179.45 177.08 2pur n ASN 156 N -5.44 4.14 -4.45 4.20 6.94 -1.26 -4.66 115.26 114.73 2pur n ASN 156 Ca 0.07 -2.27 -0.44 0.00 -0.02 0.00 0.00 54.58 51.92 2pur n ASN 156 Cb 0.35 -0.52 -0.07 0.00 -2.36 0.00 0.00 39.78 37.18 2pur n ASN 156 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2pur s ILE 157 N -1.58 4.95 -0.44 1.53 1.01 -0.54 -0.02 121.20 126.12 2pur s ILE 157 Ca 0.46 -0.52 0.10 0.00 0.00 0.00 0.00 60.65 60.69 2pur s ILE 157 Cb 0.28 -4.23 -0.11 0.00 0.01 0.00 0.00 42.46 38.41 2pur s ILE 157 CO 0.25 -0.71 0.40 2.30 0.00 0.00 0.00 174.94 177.19 2pur n ILE 158 N 5.55 0.00 -4.03 2.92 -5.35 -0.31 -4.66 119.36 113.48 2pur n ILE 158 Ca -0.07 -0.27 0.04 0.00 -0.27 0.00 0.00 62.75 62.17 2pur n ILE 158 Cb 0.45 0.98 0.01 0.00 -1.74 0.00 0.00 39.64 39.35 2pur n ILE 158 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2pur n GLY 159 N 1.25 0.16 0.00 3.28 0.00 -1.22 -1.26 105.19 107.39 2pur n GLY 159 Ca 0.02 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.01 2pur n GLY 159 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2pur n ILE 160 N -0.93 0.00 -3.15 -0.61 3.06 0.08 -1.04 119.36 116.77 2pur n ILE 160 Ca 0.06 0.00 0.06 0.00 -2.50 0.00 0.00 62.75 60.36 2pur n ILE 160 Cb 0.56 0.00 -0.01 0.00 0.54 0.00 0.00 39.64 40.73 2pur n ILE 160 CO 0.00 0.00 0.00 -0.70 -2.50 0.00 0.00 176.55 173.35 2pur s GLU 162 N 2.17 0.04 -0.11 9.51 -6.30 0.55 -0.80 118.70 123.75 2pur s GLU 162 Ca 0.00 0.06 0.15 0.00 -2.50 0.00 0.00 54.97 52.68 2pur s GLU 162 Cb 0.00 0.03 0.51 0.00 0.00 0.00 0.00 34.13 34.67 2pur s GLU 162 CO 0.00 -0.06 1.42 0.00 0.02 0.00 0.00 175.26 176.64 2pur n ALA 163 N 5.29 2.80 0.18 6.30 0.00 0.07 -1.06 120.51 134.08 2pur n ALA 163 Ca -0.01 -1.80 0.02 0.00 0.00 0.00 0.00 53.44 51.65 2pur n ALA 163 Cb 0.56 -0.70 0.33 0.00 0.00 0.00 0.00 19.45 19.65 2pur n ALA 163 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2pur h THR 164 N 2.38 1.29 0.00 0.00 1.35 -1.92 -3.44 112.91 112.58 2pur h THR 164 Ca 0.00 -1.40 0.00 0.00 -0.55 0.00 0.00 66.41 64.46 2pur h THR 164 Cb 1.25 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 69.42 2pur h THR 164 CO 0.17 0.40 0.00 0.61 -0.25 0.00 0.00 175.52 176.45 2pur n GLY 165 N -0.36 0.45 3.41 5.82 0.00 -1.26 -4.99 105.19 108.26 2pur n GLY 165 Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 2pur n GLY 165 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2pur s ASN 166 N -2.21 6.20 0.39 1.61 3.84 -1.26 -4.94 114.94 118.58 2pur s ASN 166 Ca 0.00 -1.16 0.28 0.00 0.21 0.00 0.00 52.86 52.19 2pur s ASN 166 Cb 0.00 -2.31 1.21 0.00 -0.55 0.00 0.00 41.25 39.61 2pur s ASN 166 CO 0.00 -1.04 1.84 -0.07 -2.79 0.00 0.00 177.10 175.04 2pur h LEU 167 N 9.95 0.00 -2.08 3.21 3.38 -1.97 -2.50 115.31 125.30 2pur h LEU 167 Ca -0.28 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 2pur h LEU 167 Cb 1.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 2pur h LEU 167 CO 1.05 0.00 -0.08 0.71 0.09 0.00 0.00 178.44 180.21 2pur h THR 168 N 0.00 0.45 0.00 0.22 1.35 -2.02 -2.58 112.91 110.32 2pur h THR 168 Ca 0.00 -0.40 -0.01 0.00 -0.55 0.00 0.00 66.41 65.45 2pur h THR 168 Cb 0.37 1.27 -0.00 0.00 -1.73 0.00 0.00 68.15 68.06 2pur h THR 168 CO 0.00 0.08 -0.07 0.03 -0.25 0.00 0.00 175.52 175.31 2pur h ARG 169 N 0.00 0.00 0.35 4.72 2.47 -1.88 -2.94 114.38 117.10 2pur h ARG 169 Ca -0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2pur h ARG 169 Cb 0.27 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.57 2pur h ARG 169 CO 0.01 0.07 -0.34 0.28 0.56 0.00 0.00 179.97 180.54 2pur h VAL 170 N 0.00 0.29 0.00 2.04 2.07 -1.69 -0.46 116.25 118.50 2pur h VAL 170 Ca -0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 2pur h VAL 170 Cb 0.13 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 2pur h VAL 170 CO 0.01 0.00 -0.42 0.78 0.02 0.00 0.00 177.57 177.96 2pur h ASN 171 N -0.72 0.00 -0.52 0.57 2.35 -1.77 -0.19 115.58 115.30 2pur h ASN 171 Ca -0.02 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 2pur h ASN 171 Cb 0.65 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.99 2pur h ASN 171 CO -0.06 0.21 0.30 1.56 -1.65 0.00 0.00 177.43 177.79 2pur h GLN 172 N 0.00 0.72 -0.06 0.81 4.20 -1.38 -2.40 115.11 117.00 2pur h GLN 172 Ca -0.01 -0.08 -0.09 0.00 0.06 0.00 0.00 58.65 58.53 2pur h GLN 172 Cb 1.17 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.81 2pur h GLN 172 CO 0.03 0.55 -0.31 0.82 -0.67 0.00 0.00 178.83 179.24 2pur h ILE 173 N 0.70 1.43 -0.93 2.54 2.04 -0.99 -3.34 117.51 118.97 2pur h ILE 173 Ca 0.18 -1.73 0.10 0.00 1.00 0.00 0.00 64.86 64.41 2pur h ILE 173 Cb 0.03 2.36 -0.08 0.00 -0.74 0.00 0.00 36.82 38.39 2pur h ILE 173 CO -0.03 0.50 0.56 0.50 0.00 0.00 0.00 178.15 179.68 2pur h LYS 174 N -0.19 0.90 0.00 2.37 3.64 -1.00 -0.24 116.57 122.05 2pur h LYS 174 Ca -0.02 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2pur h LYS 174 Cb 0.96 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 2pur h LYS 174 CO 0.06 0.60 0.00 -0.85 -2.27 0.00 0.00 179.45 176.99 2pur n GLU 175 N -4.66 0.20 0.00 1.90 0.28 -0.91 -2.92 120.64 114.53 2pur n GLU 175 Ca 0.16 0.47 0.10 0.00 -0.16 0.00 0.00 57.16 57.72 2pur n GLU 175 Cb 0.30 -1.91 -0.02 0.00 1.43 0.00 0.00 31.44 31.24 2pur n GLU 175 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2pur n LEU 176 N -2.29 1.71 -4.37 -1.84 4.77 -0.11 -5.00 117.00 109.86 2pur n LEU 176 Ca 0.01 -0.72 -0.19 0.00 -0.03 0.00 0.00 56.01 55.09 2pur n LEU 176 Cb 0.20 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.19 2pur n LEU 176 CO 0.19 0.33 -0.36 0.68 -1.33 0.00 0.00 177.39 176.90 2pur s VAL 177 N -2.35 1.37 0.82 4.08 -7.23 -1.14 -4.73 120.40 111.23 2pur s VAL 177 Ca 0.15 -2.09 -0.11 0.00 -1.81 0.00 0.00 61.98 58.12 2pur s VAL 177 Cb 0.16 -2.34 0.08 0.00 0.56 0.00 0.00 36.38 34.84 2pur s VAL 177 CO 0.56 -0.36 1.09 -0.94 -0.31 0.00 0.00 175.10 175.14 2pur s SER 178 N -3.36 4.18 0.32 4.85 1.04 -1.26 -4.92 113.70 114.55 2pur s SER 178 Ca 0.28 1.52 0.25 0.00 0.48 0.00 0.00 55.95 58.48 2pur s SER 178 Cb 0.04 -2.25 1.09 0.00 0.10 0.00 0.00 66.02 65.01 2pur s SER 178 CO 0.09 -2.20 1.76 0.44 0.98 0.00 0.00 173.24 174.32 2pur h ASP 179 N -1.24 0.00 0.19 7.02 5.19 -2.01 -2.02 116.42 123.55 2pur h ASP 179 Ca -0.47 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 2pur h ASP 179 Cb 1.26 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.77 2pur h ASP 179 CO 0.55 0.00 -0.19 -0.90 -3.12 0.00 0.00 179.24 175.59 2pur n ASP 180 N -2.39 1.07 -4.72 6.45 5.68 -1.26 -4.88 116.55 116.50 2pur n ASP 180 Ca 0.01 -0.99 -0.42 0.00 -0.50 0.00 0.00 54.79 52.89 2pur n ASP 180 Cb 0.22 0.09 -0.03 0.00 -1.14 0.00 0.00 41.12 40.25 2pur n ASP 180 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 2pur s PHE 181 N -2.39 3.41 -0.13 2.11 5.36 -0.76 -4.96 117.98 120.63 2pur s PHE 181 Ca 0.28 1.28 -0.16 0.00 -0.96 0.00 0.00 56.93 57.36 2pur s PHE 181 Cb 0.20 -3.46 -0.04 0.00 -0.34 0.00 0.00 43.02 39.38 2pur s PHE 181 CO 0.47 -1.41 0.40 0.08 -1.46 0.00 0.00 175.22 173.30 2pur s VAL 182 N 0.87 5.22 -0.26 3.12 1.01 -0.39 -4.96 120.40 125.00 2pur s VAL 182 Ca 0.58 0.79 -0.04 0.00 0.00 0.00 0.00 61.98 63.31 2pur s VAL 182 Cb -0.31 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.34 2pur s VAL 182 CO 0.31 0.37 -0.00 -0.76 0.00 0.00 0.00 175.10 175.01 2pur s LEU 183 N 0.43 3.37 -0.08 3.92 1.43 -1.26 -0.74 118.68 125.75 2pur s LEU 183 Ca 0.22 -0.69 0.04 0.00 -1.03 0.00 0.00 54.13 52.67 2pur s LEU 183 Cb -0.14 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.31 2pur s LEU 183 CO 0.08 -0.12 -0.21 -0.76 0.23 0.00 0.00 176.35 175.56 2pur s LEU 184 N 1.43 1.98 0.35 1.79 1.43 0.02 -0.09 118.68 125.58 2pur s LEU 184 Ca 0.02 -0.48 -0.27 0.00 -1.03 0.00 0.00 54.13 52.38 2pur s LEU 184 Cb -0.16 -1.24 -0.09 0.00 0.03 0.00 0.00 46.19 44.73 2pur s LEU 184 CO -0.02 0.15 1.09 -0.55 0.23 0.00 0.00 176.35 177.26 2pur s SER 185 N 0.29 6.94 -0.17 2.29 0.15 -0.61 -0.33 113.70 122.25 2pur s SER 185 Ca -0.14 2.20 0.17 0.00 0.70 0.00 0.00 55.95 58.88 2pur s SER 185 Cb -0.16 -2.61 0.50 0.00 -1.71 0.00 0.00 66.02 62.04 2pur s SER 185 CO 0.06 -0.37 1.39 0.61 1.20 0.00 0.00 173.24 176.13 2pur n GLY 186 N 0.77 4.14 2.70 9.45 0.00 -0.22 -0.84 105.19 121.18 2pur n GLY 186 Ca 0.02 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.69 2pur n GLY 186 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2pur s ASP 187 N -2.05 3.89 0.22 1.61 2.15 -1.26 -4.69 116.67 116.55 2pur s ASP 187 Ca 0.41 -1.73 -0.08 0.00 0.43 0.00 0.00 52.55 51.57 2pur s ASP 187 Cb 0.33 -0.81 0.34 0.00 -0.30 0.00 0.00 42.92 42.49 2pur s ASP 187 CO 0.08 -0.40 1.71 0.44 -0.17 0.00 0.00 175.17 176.84 2pur h ASP 188 N 7.93 0.10 0.13 -0.34 3.32 -1.89 -1.87 116.42 123.79 2pur h ASP 188 Ca -0.12 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 2pur h ASP 188 Cb 1.00 0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.68 2pur h ASP 188 CO 0.46 0.04 -0.09 0.00 -1.72 0.00 0.00 179.24 177.93 2pur h ALA 189 N 1.50 1.68 -0.37 3.45 0.00 -1.95 -2.65 119.26 120.92 2pur h ALA 189 Ca 0.34 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2pur h ALA 189 Cb 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2pur h ALA 189 CO -0.40 0.11 0.00 -1.13 0.00 0.00 0.00 179.25 177.83 2pur n SER 190 N -4.19 3.05 -0.22 0.00 3.41 -0.81 -4.72 113.62 110.14 2pur n SER 190 Ca -0.03 -1.92 -0.05 0.00 -0.26 0.00 0.00 58.87 56.61 2pur n SER 190 Cb 0.17 -0.25 0.11 0.00 -0.26 0.00 0.00 64.21 63.98 2pur n SER 190 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pur h ALA 191 N 2.82 1.07 -0.32 7.33 0.00 -0.99 0.19 119.26 129.37 2pur h ALA 191 Ca 0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 2pur h ALA 191 Cb 0.78 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2pur h ALA 191 CO 0.00 0.62 -0.24 1.25 0.00 0.00 0.00 179.25 180.89 2pur h LEU 192 N 1.00 0.77 -0.65 0.00 5.85 -1.84 0.74 115.31 121.18 2pur h LEU 192 Ca 0.22 -0.44 0.07 0.00 0.84 0.00 0.00 57.88 58.57 2pur h LEU 192 Cb 0.31 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 2pur h LEU 192 CO -0.01 1.04 0.33 0.44 -0.34 0.00 0.00 178.44 179.90 2pur h ASP 193 N 0.49 0.44 -0.37 1.25 3.32 -1.83 0.13 116.42 119.86 2pur h ASP 193 Ca 0.06 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 2pur h ASP 193 Cb 0.79 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.29 2pur h ASP 193 CO 0.06 0.28 0.21 0.15 -1.72 0.00 0.00 179.24 178.22 2pur h PHE 194 N 0.59 0.49 -0.78 4.55 3.04 -0.38 -1.28 116.94 123.17 2pur h PHE 194 Ca 0.30 -0.01 -0.05 0.00 3.98 0.00 0.00 57.97 62.20 2pur h PHE 194 Cb 0.26 -0.16 -0.03 0.00 2.56 0.00 0.00 35.95 38.58 2pur h PHE 194 CO -0.10 0.37 0.30 0.52 -2.02 0.00 0.00 178.31 177.37 2pur h MET 195 N 0.47 1.18 -0.11 1.11 2.86 -0.32 -1.34 114.93 118.79 2pur h MET 195 Ca 0.13 -0.22 -0.03 0.00 -2.06 0.00 0.00 59.70 57.52 2pur h MET 195 Cb 0.03 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.49 2pur h MET 195 CO -0.02 0.97 -0.05 0.37 1.06 0.00 0.00 176.91 179.23 2pur h GLN 196 N 1.15 0.15 0.00 1.72 4.15 -0.18 -1.73 115.11 120.38 2pur h GLN 196 Ca 0.26 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.66 2pur h GLN 196 Cb 0.24 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.90 2pur h GLN 196 CO -0.02 0.22 0.00 1.28 -1.93 0.00 0.00 178.83 178.38 2pur n LEU 197 N -4.39 0.47 0.00 -2.39 4.77 -0.54 -4.85 117.00 110.07 2pur n LEU 197 Ca -0.01 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 2pur n LEU 197 Cb 0.19 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 2pur n LEU 197 CO 0.36 -0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 2pur n GLY 198 N 1.26 0.01 3.73 -0.72 0.00 -0.66 -4.75 105.19 104.06 2pur n GLY 198 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 2pur n GLY 198 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pur s GLY 199 N -0.11 2.26 0.00 -0.02 0.00 -0.54 -4.89 107.32 104.01 2pur s GLY 199 Ca 0.00 0.78 0.16 0.00 0.00 0.00 0.00 44.72 45.66 2pur s GLY 199 CO 0.00 1.17 0.88 1.42 0.00 0.00 0.00 173.10 176.58 2pur n HIS 200 N -2.75 0.00 -3.68 1.90 8.25 0.88 -4.48 115.22 115.34 2pur n HIS 200 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 2pur n HIS 200 Cb 0.51 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.62 2pur n HIS 200 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2pur n GLY 201 N 1.12 -1.29 3.05 -1.41 0.00 -1.23 -1.57 105.19 103.86 2pur n GLY 201 Ca 0.07 -1.08 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 2pur n GLY 201 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pur s VAL 202 N -3.00 -0.02 -0.44 1.61 0.11 -0.44 -1.57 120.40 116.65 2pur s VAL 202 Ca 0.00 0.07 -0.18 0.00 -2.93 0.00 0.00 61.98 58.94 2pur s VAL 202 Cb 0.00 -0.31 0.03 0.00 -1.53 0.00 0.00 36.38 34.57 2pur s VAL 202 CO 0.00 0.03 0.52 -0.63 -3.33 0.00 0.00 175.10 171.68 2pur s ILE 203 N 0.61 5.00 -0.01 7.04 1.01 -0.02 -1.20 121.20 133.62 2pur s ILE 203 Ca -0.04 -0.32 0.06 0.00 0.00 0.00 0.00 60.65 60.35 2pur s ILE 203 Cb -0.06 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.26 2pur s ILE 203 CO -0.03 -0.55 -0.20 -0.55 0.00 0.00 0.00 174.94 173.61 2pur s SER 204 N 2.07 3.60 -0.16 3.58 0.15 0.10 -4.51 113.70 118.53 2pur s SER 204 Ca 0.14 -0.36 -0.25 0.00 0.70 0.00 0.00 55.95 56.18 2pur s SER 204 Cb -0.17 -0.59 -0.23 0.00 -1.71 0.00 0.00 66.02 63.32 2pur s SER 204 CO 0.14 0.31 0.55 0.58 1.20 0.00 0.00 173.24 176.03 2pur h VAL 205 N 4.29 1.43 -1.07 4.45 2.07 -1.87 -0.19 116.25 125.36 2pur h VAL 205 Ca -0.46 -2.22 0.29 0.00 0.82 0.00 0.00 66.70 65.13 2pur h VAL 205 Cb 1.14 2.85 -0.10 0.00 -1.52 0.00 0.00 31.29 33.66 2pur h VAL 205 CO 0.48 0.48 0.69 0.74 0.02 0.00 0.00 177.57 179.98 2pur h THR 206 N -1.00 0.47 -0.01 2.57 2.02 -1.95 0.11 112.91 115.12 2pur h THR 206 Ca -0.11 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 66.95 2pur h THR 206 Cb 1.05 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.54 2pur h THR 206 CO -0.06 0.07 0.08 0.00 0.37 0.00 0.00 175.52 175.97 2pur h ALA 207 N 1.63 1.12 -0.45 6.16 0.00 -1.84 -1.33 119.26 124.55 2pur h ALA 207 Ca 0.63 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.62 2pur h ALA 207 Cb 1.64 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 2pur h ALA 207 CO -0.32 -0.09 0.31 -0.91 0.00 0.00 0.00 179.25 178.24 2pur h ASN 208 N 0.00 0.21 0.00 0.00 2.35 -1.18 -3.07 115.58 113.89 2pur h ASN 208 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2pur h ASN 208 Cb 0.17 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.50 2pur h ASN 208 CO -0.00 0.13 -0.09 1.33 -1.65 0.00 0.00 177.43 177.15 2pur n VAL 209 N -4.46 0.00 -2.56 2.81 0.24 -0.60 -4.78 118.33 108.99 2pur n VAL 209 Ca 0.07 -0.37 -0.18 0.00 -2.04 0.00 0.00 64.34 61.82 2pur n VAL 209 Cb 0.35 0.93 0.02 0.00 -1.47 0.00 0.00 33.84 33.67 2pur n VAL 209 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2pur n ALA 210 N -0.89 4.26 -0.14 2.33 0.00 -0.63 -4.96 120.51 120.49 2pur n ALA 210 Ca 0.00 -3.73 -0.06 0.00 0.00 0.00 0.00 53.44 49.65 2pur n ALA 210 Cb 0.00 -0.72 0.03 0.00 0.00 0.00 0.00 19.45 18.76 2pur n ALA 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pur h ALA 211 N 2.76 0.55 -0.14 0.00 0.00 -1.77 -0.71 119.26 119.95 2pur h ALA 211 Ca 0.11 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2pur h ALA 211 Cb 1.07 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2pur h ALA 211 CO 0.67 -0.13 -0.08 -0.09 0.00 0.00 0.00 179.25 179.62 2pur h ARG 212 N 0.45 0.30 -0.78 0.00 2.43 -1.90 -0.13 114.38 114.75 2pur h ARG 212 Ca 0.19 -0.14 0.03 0.00 -0.81 0.00 0.00 59.98 59.25 2pur h ARG 212 Cb 0.09 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.58 2pur h ARG 212 CO -0.13 0.64 0.50 -0.44 -1.51 0.00 0.00 179.97 179.03 2pur h ASP 213 N -0.05 0.82 -0.43 -3.80 3.32 -1.87 -0.92 116.42 113.49 2pur h ASP 213 Ca 0.03 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 2pur h ASP 213 Cb 0.56 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 2pur h ASP 213 CO 0.02 0.57 0.18 0.24 -1.72 0.00 0.00 179.24 178.53 2pur h MET 214 N 0.97 0.63 -0.21 3.56 2.86 -0.96 0.18 114.93 121.97 2pur h MET 214 Ca 0.31 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 2pur h MET 214 Cb 0.00 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 2pur h MET 214 CO -0.11 0.58 0.13 0.00 1.06 0.00 0.00 176.91 178.57 2pur h ALA 215 N 1.02 0.26 -0.45 6.32 0.00 -0.58 -0.98 119.26 124.86 2pur h ALA 215 Ca 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2pur h ALA 215 Cb 0.18 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2pur h ALA 215 CO -0.01 -0.24 0.24 0.37 0.00 0.00 0.00 179.25 179.61 2pur h GLN 216 N 0.26 0.63 -0.45 0.00 5.75 -1.08 -1.72 115.11 118.50 2pur h GLN 216 Ca 0.07 -0.08 0.07 0.00 -0.15 0.00 0.00 58.65 58.57 2pur h GLN 216 Cb 0.00 -0.12 -0.06 0.00 1.07 0.00 0.00 27.48 28.37 2pur h GLN 216 CO -0.01 0.50 0.12 1.98 -2.65 0.00 0.00 178.83 178.76 2pur h MET 217 N 0.59 0.25 -0.26 1.69 4.05 -0.68 0.00 114.93 120.58 2pur h MET 217 Ca 0.16 -0.02 -0.10 0.00 -0.28 0.00 0.00 59.70 59.46 2pur h MET 217 Cb 0.06 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.79 2pur h MET 217 CO -0.03 0.17 -0.27 0.00 0.23 0.00 0.00 176.91 177.01 2pur h LYS 219 N 0.44 0.15 -0.87 0.00 3.64 -0.93 -0.91 116.57 118.09 2pur h LYS 219 Ca 0.06 -0.07 0.07 0.00 -1.27 0.00 0.00 60.65 59.44 2pur h LYS 219 Cb 0.70 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.46 2pur h LYS 219 CO 0.05 0.52 0.54 -0.07 -2.27 0.00 0.00 179.45 178.22 2pur h LEU 220 N -0.22 0.84 -0.18 5.20 3.38 -0.87 -1.42 115.31 122.04 2pur h LEU 220 Ca 0.02 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.01 2pur h LEU 220 Cb 0.47 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2pur h LEU 220 CO 0.01 0.53 0.10 0.00 0.09 0.00 0.00 178.44 179.17 2pur h ALA 221 N 1.42 0.22 -0.52 1.53 0.00 -0.97 0.12 119.26 121.04 2pur h ALA 221 Ca 0.39 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.36 2pur h ALA 221 Cb 0.20 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2pur h ALA 221 CO -0.18 -0.32 0.35 0.00 0.00 0.00 0.00 179.25 179.10 2pur h ALA 222 N 1.08 1.89 -0.00 0.00 0.00 -0.72 -1.21 119.26 120.31 2pur h ALA 222 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2pur h ALA 222 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2pur h ALA 222 CO -0.04 0.02 -0.10 0.39 0.00 0.00 0.00 179.25 179.52 2pur n GLU 223 N -4.47 0.62 -0.51 0.00 1.02 -0.58 -4.92 120.64 111.80 2pur n GLU 223 Ca 0.07 -0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 2pur n GLU 223 Cb 0.25 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 2pur n GLU 223 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pur n GLY 224 N 1.29 0.75 2.79 0.62 0.00 -0.45 -4.98 105.19 105.20 2pur n GLY 224 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2pur n GLY 224 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2pur n HIS 225 N -2.46 2.68 -0.05 1.61 8.25 0.32 -4.79 115.22 120.78 2pur n HIS 225 Ca 0.00 -2.73 -0.07 0.00 -0.26 0.00 0.00 57.72 54.67 2pur n HIS 225 Cb 0.00 -1.71 0.11 0.00 1.12 0.00 0.00 29.99 29.51 2pur n HIS 225 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 2pur h PHE 226 N 5.31 0.78 -0.63 4.41 0.04 -1.89 -1.06 116.94 123.91 2pur h PHE 226 Ca 0.43 -0.19 -0.09 0.00 2.80 0.00 0.00 57.97 60.92 2pur h PHE 226 Cb 0.53 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.47 2pur h PHE 226 CO 1.28 0.88 0.04 0.00 -0.60 0.00 0.00 178.31 179.91 2pur h ALA 227 N 1.11 0.84 -0.32 2.45 0.00 -1.97 0.12 119.26 121.50 2pur h ALA 227 Ca 0.08 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 2pur h ALA 227 Cb 0.76 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2pur h ALA 227 CO 0.06 0.65 -0.15 0.93 0.00 0.00 0.00 179.25 180.74 2pur h GLU 228 N 0.99 0.67 -0.76 0.00 3.07 -1.93 -2.61 114.58 114.01 2pur h GLU 228 Ca 0.18 -0.29 0.03 0.00 -0.50 0.00 0.00 59.36 58.78 2pur h GLU 228 Cb 0.52 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.37 2pur h GLU 228 CO 0.02 0.88 0.50 0.00 -1.40 0.00 0.00 179.01 179.01 2pur h ALA 229 N 0.77 1.55 -0.08 3.43 0.00 -0.94 -3.02 119.26 120.97 2pur h ALA 229 Ca 0.07 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 2pur h ALA 229 Cb 0.68 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2pur h ALA 229 CO 0.05 0.37 -0.43 -0.09 0.00 0.00 0.00 179.25 179.15 2pur h ARG 230 N 0.93 0.18 -0.72 0.00 2.43 -0.40 -1.03 114.38 115.76 2pur h ARG 230 Ca 0.30 -0.09 0.02 0.00 -0.81 0.00 0.00 59.98 59.40 2pur h ARG 230 Cb 0.04 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 2pur h ARG 230 CO -0.09 0.59 0.47 0.28 -1.51 0.00 0.00 179.97 179.71 2pur h VAL 231 N 0.15 1.15 -0.27 0.20 2.07 -1.35 0.10 116.25 118.31 2pur h VAL 231 Ca 0.01 -0.32 -0.06 0.00 0.82 0.00 0.00 66.70 67.15 2pur h VAL 231 Cb 0.83 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2pur h VAL 231 CO 0.06 0.17 -0.05 0.40 0.02 0.00 0.00 177.57 178.17 2pur h ILE 232 N 0.95 1.28 -0.90 4.57 2.04 -1.48 -2.82 117.51 121.14 2pur h ILE 232 Ca 0.27 -1.06 0.11 0.00 1.00 0.00 0.00 64.86 65.19 2pur h ILE 232 Cb -0.06 1.42 -0.07 0.00 -0.74 0.00 0.00 36.82 37.37 2pur h ILE 232 CO -0.08 0.33 0.58 -1.13 0.00 0.00 0.00 178.15 177.85 2pur h ASN 233 N 0.27 0.77 -0.09 1.72 -0.00 -0.68 -1.76 115.58 115.81 2pur h ASN 233 Ca 0.07 0.03 -0.13 0.00 -0.00 0.00 0.00 56.30 56.27 2pur h ASN 233 Cb 0.52 -0.13 -0.01 0.00 -0.00 0.00 0.00 38.32 38.70 2pur h ASN 233 CO 0.02 0.43 -0.37 1.56 -0.00 0.00 0.00 177.43 179.07 2pur h GLN 234 N 0.84 0.60 0.00 6.67 4.20 -0.59 0.95 115.11 127.78 2pur h GLN 234 Ca 0.43 -0.30 -0.05 0.00 0.06 0.00 0.00 58.65 58.79 2pur h GLN 234 Cb 0.50 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 2pur h GLN 234 CO -0.19 0.88 -0.24 0.07 -0.67 0.00 0.00 178.83 178.68 2pur h ARG 235 N 0.50 0.00 -0.00 1.46 0.11 -1.11 -3.13 114.38 112.22 2pur h ARG 235 Ca 0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.13 2pur h ARG 235 Cb 0.88 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.96 2pur h ARG 235 CO 0.08 0.24 -0.53 1.28 0.10 0.00 0.00 179.97 181.13 2pur n LEU 236 N -3.32 0.56 -0.21 0.08 4.77 -0.78 -3.31 117.00 114.78 2pur n LEU 236 Ca 0.01 -0.05 -0.06 0.00 -0.03 0.00 0.00 56.01 55.88 2pur n LEU 236 Cb 0.48 -0.23 0.04 0.00 -2.33 0.00 0.00 43.42 41.38 2pur n LEU 236 CO 0.34 0.14 1.09 -0.03 -1.33 0.00 0.00 177.39 177.60 2pur h MET 237 N 0.03 0.82 -0.99 3.23 4.05 -0.78 0.20 114.93 121.50 2pur h MET 237 Ca 0.00 -0.08 0.12 0.00 -0.28 0.00 0.00 59.70 59.46 2pur h MET 237 Cb 0.50 -0.17 -0.08 0.00 -0.80 0.00 0.00 31.60 31.04 2pur h MET 237 CO 0.00 0.59 0.62 -1.35 0.23 0.00 0.00 176.91 177.00 2pur h PRO 238 N 0.82 0.95 -0.32 0.39 0.11 -1.79 -1.47 132.00 130.67 2pur h PRO 238 Ca 0.22 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.24 2pur h PRO 238 Cb -0.02 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 30.86 2pur h PRO 238 CO -0.04 0.63 0.10 -0.07 -0.21 0.00 0.00 178.00 178.41 2pur h LEU 239 N 0.98 0.47 -0.90 2.35 3.38 -1.51 0.27 115.31 120.35 2pur h LEU 239 Ca 0.49 -0.20 0.16 0.00 0.09 0.00 0.00 57.88 58.41 2pur h LEU 239 Cb 0.49 -0.12 -0.10 0.00 0.09 0.00 0.00 40.66 41.01 2pur h LEU 239 CO -0.27 0.55 0.49 0.45 0.09 0.00 0.00 178.44 179.76 2pur h HIS 240 N 0.37 0.87 0.00 1.13 3.86 -0.32 -0.55 115.15 120.51 2pur h HIS 240 Ca 0.10 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.35 2pur h HIS 240 Cb 0.25 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2pur h HIS 240 CO 0.01 0.21 -0.00 -0.91 0.86 0.00 0.00 177.93 178.10 2pur h ASN 241 N 0.68 -0.00 1.30 2.45 -0.26 -1.17 -3.40 115.58 115.19 2pur h ASN 241 Ca 0.50 -0.77 0.00 0.00 -0.56 0.00 0.00 56.30 55.46 2pur h ASN 241 Cb 0.71 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.97 2pur h ASN 241 CO -0.36 0.88 0.00 0.29 -1.06 0.00 0.00 177.43 177.18 2pur n LYS 242 N -4.65 0.21 0.00 0.81 4.76 0.93 -1.79 118.16 118.42 2pur n LYS 242 Ca -0.08 0.20 0.04 0.00 -2.87 0.00 0.00 58.31 55.60 2pur n LYS 242 Cb 0.37 -1.75 0.19 0.00 -1.84 0.00 0.00 35.03 32.00 2pur n LYS 242 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2pur n LEU 243 N -2.12 0.00 -0.80 -0.35 4.77 -0.23 -1.24 117.00 117.03 2pur n LEU 243 Ca 0.05 0.47 0.09 0.00 -0.03 0.00 0.00 56.01 56.59 2pur n LEU 243 Cb 0.39 -0.47 0.25 0.00 -2.33 0.00 0.00 43.42 41.25 2pur n LEU 243 CO 0.28 -0.33 0.69 0.49 -1.33 0.00 0.00 177.39 177.19 2pur n PHE 244 N -1.47 0.84 0.08 -1.77 3.72 -0.74 -4.43 117.46 113.69 2pur n PHE 244 Ca 0.02 -0.88 0.04 0.00 -0.05 0.00 0.00 57.45 56.59 2pur n PHE 244 Cb 0.10 -0.29 0.46 0.00 -0.94 0.00 0.00 39.48 38.80 2pur n PHE 244 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 176.76 176.47 2pur h VAL 245 N 1.63 1.10 -3.24 -4.37 3.04 -1.27 -3.42 116.25 109.72 2pur h VAL 245 Ca 0.00 -0.30 -0.39 0.00 -1.01 0.00 0.00 66.70 65.00 2pur h VAL 245 Cb 1.38 0.77 -0.14 0.00 -2.01 0.00 0.00 31.29 31.29 2pur h VAL 245 CO 0.20 0.12 -0.66 -1.61 -1.01 0.00 0.00 177.57 174.61 2pur s GLU 246 N -5.22 1.37 0.22 4.17 2.02 -1.26 -5.08 118.70 114.91 2pur s GLU 246 Ca -0.07 -1.70 -0.32 0.00 0.02 0.00 0.00 54.97 52.90 2pur s GLU 246 Cb 0.17 -0.67 -0.13 0.00 0.10 0.00 0.00 34.13 33.59 2pur s GLU 246 CO 0.72 -0.09 1.54 -2.30 0.02 0.00 0.00 175.26 175.15 2pur n PRO 247 N -0.45 2.29 -1.84 0.39 -0.02 -1.26 -4.52 135.00 129.59 2pur n PRO 247 Ca -0.05 0.82 -0.41 0.00 -2.02 0.00 0.00 63.50 61.84 2pur n PRO 247 Cb 0.64 -2.57 -0.01 0.00 -0.02 0.00 0.00 33.50 31.54 2pur n PRO 247 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2pur s ASN 248 N 0.67 6.44 -0.43 2.55 3.04 -1.26 -0.16 114.94 125.79 2pur s ASN 248 Ca 0.72 2.90 0.05 0.00 0.04 0.00 0.00 52.86 56.57 2pur s ASN 248 Cb -0.61 -2.64 0.65 0.00 -1.54 0.00 0.00 41.25 37.11 2pur s ASN 248 CO 0.43 -0.85 1.86 -0.81 -3.04 0.00 0.00 177.10 174.69 2pur n PRO 249 N 1.86 2.23 0.20 0.43 -0.04 -1.26 -4.94 135.00 133.48 2pur n PRO 249 Ca 0.06 -3.04 -0.15 0.00 -0.04 0.00 0.00 63.50 60.34 2pur n PRO 249 Cb 0.38 -2.13 -0.07 0.00 -0.04 0.00 0.00 33.50 31.64 2pur n PRO 249 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2pur h ILE 250 N 1.04 0.40 -0.22 0.52 2.04 -0.83 -0.74 117.51 119.72 2pur h ILE 250 Ca 0.58 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.44 2pur h ILE 250 Cb 2.71 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 39.18 2pur h ILE 250 CO 1.01 0.00 0.13 -0.65 0.00 0.00 0.00 178.15 178.64 2pur h PRO 251 N -0.62 0.29 -0.26 2.37 0.11 -1.77 -2.34 132.00 129.78 2pur h PRO 251 Ca -0.02 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.99 2pur h PRO 251 Cb 0.56 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 2pur h PRO 251 CO -0.04 0.24 -0.17 -0.24 -0.21 0.00 0.00 178.00 177.58 2pur h VAL 252 N 0.26 1.24 -0.53 3.15 3.04 -1.76 0.39 116.25 122.03 2pur h VAL 252 Ca 0.08 -1.10 -0.09 0.00 -1.01 0.00 0.00 66.70 64.58 2pur h VAL 252 Cb 0.03 1.23 -0.02 0.00 -2.01 0.00 0.00 31.29 30.52 2pur h VAL 252 CO -0.01 0.35 -0.01 0.11 -1.01 0.00 0.00 177.57 176.99 2pur h LYS 253 N 0.42 0.95 -0.37 4.17 1.57 -1.07 0.58 116.57 122.82 2pur h LYS 253 Ca 0.07 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 2pur h LYS 253 Cb 0.55 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 2pur h LYS 253 CO 0.04 0.97 0.18 2.35 -0.57 0.00 0.00 179.45 182.41 2pur h TRP 254 N 0.82 0.53 -0.58 -1.35 7.01 -0.93 -1.45 115.95 120.00 2pur h TRP 254 Ca 0.15 -0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.17 2pur h TRP 254 Cb 0.55 -0.16 -0.05 0.00 -2.10 0.00 0.00 29.16 27.40 2pur h TRP 254 CO 0.04 0.45 0.31 0.00 -2.79 0.00 0.00 178.44 176.45 2pur h ALA 255 N 1.03 0.76 -0.99 2.65 0.00 -0.67 0.37 119.26 122.41 2pur h ALA 255 Ca 0.13 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2pur h ALA 255 Cb 0.12 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 2pur h ALA 255 CO -0.02 -0.02 0.65 0.00 0.00 0.00 0.00 179.25 179.87 2pur h LYS 257 N 1.34 0.59 -0.63 0.00 3.64 -0.56 -0.52 116.57 120.43 2pur h LYS 257 Ca 0.36 -0.23 0.01 0.00 -1.27 0.00 0.00 60.65 59.52 2pur h LYS 257 Cb -0.15 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.60 2pur h LYS 257 CO -0.08 0.78 0.42 1.49 -2.27 0.00 0.00 179.45 179.79 2pur h GLU 258 N 0.36 0.82 0.00 1.90 4.57 -0.53 -1.20 114.58 120.49 2pur h GLU 258 Ca 0.08 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 2pur h GLU 258 Cb 0.56 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 2pur h GLU 258 CO 0.03 0.54 0.00 1.28 -1.18 0.00 0.00 179.01 179.68 2pur n LEU 259 N -4.44 0.56 0.00 1.64 4.77 -0.59 -4.92 117.00 114.03 2pur n LEU 259 Ca 0.07 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 2pur n LEU 259 Cb 0.05 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 2pur n LEU 259 CO 0.36 -0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 2pur n GLY 260 N 1.24 0.74 0.15 -0.72 0.00 -0.45 -4.96 105.19 101.19 2pur n GLY 260 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.10 2pur n GLY 260 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2pur h LEU 261 N 0.00 0.00 -8.33 0.99 3.38 -1.34 -3.45 115.31 106.56 2pur h LEU 261 Ca 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 2pur h LEU 261 Cb 0.00 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.56 2pur h LEU 261 CO 0.00 0.54 -0.73 0.68 0.09 0.00 0.00 178.44 179.02 2pur s VAL 262 N -3.21 0.72 0.09 1.22 -7.23 -1.19 -4.35 120.40 106.46 2pur s VAL 262 Ca 0.02 -1.46 -0.11 0.00 -1.81 0.00 0.00 61.98 58.62 2pur s VAL 262 Cb 0.10 -1.11 -0.21 0.00 0.56 0.00 0.00 36.38 35.72 2pur s VAL 262 CO 0.74 -0.54 1.23 0.00 -0.31 0.00 0.00 175.10 176.22 2pur h ALA 263 N 3.86 0.21 -2.54 1.32 0.00 -1.90 -3.39 119.26 116.81 2pur h ALA 263 Ca -0.36 -0.69 -0.15 0.00 0.00 0.00 0.00 54.91 53.71 2pur h ALA 263 Cb 1.19 0.03 -0.17 0.00 0.00 0.00 0.00 17.79 18.84 2pur h ALA 263 CO 0.50 0.71 -0.69 0.95 0.00 0.00 0.00 179.25 180.72 2pur s THR 264 N -3.37 0.24 -0.35 0.00 -4.23 -1.26 -5.03 115.64 101.64 2pur s THR 264 Ca -0.09 -1.48 0.15 0.00 -1.18 0.00 0.00 61.69 59.09 2pur s THR 264 Cb 0.08 -1.06 0.82 0.00 1.34 0.00 0.00 72.50 73.67 2pur s THR 264 CO 0.91 -0.79 1.74 -0.90 -0.54 0.00 0.00 174.62 175.04 2pur n ASP 265 N 0.67 5.65 -4.77 3.99 5.75 -1.26 -4.55 116.55 122.03 2pur n ASP 265 Ca -0.18 -2.88 -0.41 0.00 -0.01 0.00 0.00 54.79 51.31 2pur n ASP 265 Cb 0.59 -0.68 0.01 0.00 -1.03 0.00 0.00 41.12 40.01 2pur n ASP 265 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 2pur n THR 266 N 0.68 2.25 -4.52 2.12 -1.04 -1.26 -4.73 114.28 107.77 2pur n THR 266 Ca 0.28 -0.50 -0.25 0.00 -2.04 0.00 0.00 64.05 61.54 2pur n THR 266 Cb 1.17 -1.91 -0.09 0.00 -1.82 0.00 0.00 70.33 67.68 2pur n THR 266 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2pur s LEU 267 N -2.17 2.15 -0.10 -4.42 1.02 -1.26 -4.41 118.68 109.49 2pur s LEU 267 Ca 0.56 -1.53 -0.04 0.00 0.02 0.00 0.00 54.13 53.13 2pur s LEU 267 Cb -0.47 -0.33 -0.04 0.00 0.02 0.00 0.00 46.19 45.37 2pur s LEU 267 CO 0.62 -0.77 0.06 -0.13 0.02 0.00 0.00 176.35 176.16 2pur s ARG 268 N -3.81 3.19 0.44 1.70 0.52 -1.26 -4.83 118.95 114.90 2pur s ARG 268 Ca 0.27 -0.28 -0.24 0.00 -0.52 0.00 0.00 55.73 54.96 2pur s ARG 268 Cb 0.05 -2.97 -0.10 0.00 0.52 0.00 0.00 34.95 32.46 2pur s ARG 268 CO 0.14 0.74 1.11 1.28 0.02 0.00 0.00 175.30 178.59 2pur n LEU 269 N 2.06 3.32 -0.28 2.53 4.77 -1.26 -1.49 117.00 126.65 2pur n LEU 269 Ca -0.19 1.04 0.04 0.00 -0.03 0.00 0.00 56.01 56.86 2pur n LEU 269 Cb 0.54 -1.42 0.14 0.00 -2.33 0.00 0.00 43.42 40.35 2pur n LEU 269 CO 0.30 -1.18 0.60 -0.81 -1.33 0.00 0.00 177.39 174.96 2pur n PRO 270 N -0.04 1.35 -2.32 3.23 -0.04 -1.26 -4.96 135.00 130.96 2pur n PRO 270 Ca 0.09 -0.54 -0.40 0.00 -0.04 0.00 0.00 63.50 62.60 2pur n PRO 270 Cb 0.40 -1.15 -0.03 0.00 -0.04 0.00 0.00 33.50 32.67 2pur n PRO 270 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2pur s MET 271 N -1.81 4.52 0.29 0.54 -1.94 -0.56 -5.05 119.30 115.29 2pur s MET 271 Ca 0.13 1.98 0.05 0.00 -1.71 0.00 0.00 55.69 56.14 2pur s MET 271 Cb 0.07 -3.14 -0.06 0.00 2.01 0.00 0.00 34.83 33.71 2pur s MET 271 CO 0.10 0.04 0.01 0.95 -0.01 0.00 0.00 175.02 176.10 2pur s THR 272 N -1.11 1.32 0.62 2.05 -4.23 -1.26 -4.57 115.64 108.46 2pur s THR 272 Ca 0.47 -2.05 -0.19 0.00 -1.18 0.00 0.00 61.69 58.74 2pur s THR 272 Cb -0.35 -2.60 -0.02 0.00 1.34 0.00 0.00 72.50 70.87 2pur s THR 272 CO 0.46 -0.16 1.27 -2.84 -0.54 0.00 0.00 174.62 172.80 2pur s PRO 273 N -3.83 2.75 0.49 3.99 0.02 -1.26 -4.92 135.00 132.23 2pur s PRO 273 Ca 0.33 1.99 -0.23 0.00 0.02 0.00 0.00 61.00 63.11 2pur s PRO 273 Cb 0.07 -1.91 -0.08 0.00 0.02 0.00 0.00 34.50 32.60 2pur s PRO 273 CO 0.13 -1.43 1.26 1.51 -0.33 0.00 0.00 177.00 178.15 2pur n ILE 274 N -1.72 3.12 -1.82 2.83 3.06 -1.26 -4.99 119.36 118.57 2pur n ILE 274 Ca 0.15 -0.50 -0.31 0.00 -2.50 0.00 0.00 62.75 59.59 2pur n ILE 274 Cb 0.48 -1.55 0.04 0.00 0.54 0.00 0.00 39.64 39.15 2pur n ILE 274 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 2pur s THR 275 N -1.27 3.96 0.21 9.51 -4.23 -1.26 -4.91 115.64 117.65 2pur s THR 275 Ca 0.66 0.64 -0.10 0.00 -1.18 0.00 0.00 61.69 61.71 2pur s THR 275 Cb -0.46 -3.58 0.16 0.00 1.34 0.00 0.00 72.50 69.95 2pur s THR 275 CO 0.54 -0.83 1.87 0.44 -0.54 0.00 0.00 174.62 176.09 2pur h ASP 276 N -0.57 0.89 -0.54 3.99 3.32 -2.00 -0.96 116.42 120.54 2pur h ASP 276 Ca -0.45 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2pur h ASP 276 Cb 1.23 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.53 2pur h ASP 276 CO 0.62 0.67 0.35 -1.28 -1.72 0.00 0.00 179.24 177.88 2pur h SER 277 N 1.03 0.64 -0.80 6.45 0.87 -2.00 -2.32 113.55 117.42 2pur h SER 277 Ca 0.27 -0.04 0.05 0.00 -1.23 0.00 0.00 61.79 60.85 2pur h SER 277 Cb -0.08 -0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 61.67 2pur h SER 277 CO -0.06 0.48 0.50 1.23 -0.53 0.00 0.00 176.83 178.46 2pur h GLY 278 N 0.74 1.19 0.87 5.77 0.00 -1.80 -1.54 103.07 108.29 2pur h GLY 278 Ca 0.20 -0.37 0.03 0.00 0.00 0.00 0.00 47.33 47.19 2pur h GLY 278 CO -0.04 0.28 0.30 3.21 0.00 0.00 0.00 176.54 180.29 2pur h ARG 279 N 0.94 0.59 -0.29 4.80 3.08 -0.74 0.53 114.38 123.29 2pur h ARG 279 Ca 0.34 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.36 2pur h ARG 279 Cb 0.10 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 2pur h ARG 279 CO -0.15 0.39 0.19 0.93 -1.07 0.00 0.00 179.97 180.26 2pur h GLU 280 N 0.60 0.38 0.02 0.04 4.39 -1.07 0.25 114.58 119.19 2pur h GLU 280 Ca 0.21 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.88 2pur h GLU 280 Cb 0.03 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 2pur h GLU 280 CO -0.10 0.25 -0.01 1.15 -1.16 0.00 0.00 179.01 179.14 2pur h THR 281 N 0.39 1.06 -0.55 1.13 2.02 -0.87 -1.53 112.91 114.55 2pur h THR 281 Ca 0.11 -0.24 -0.05 0.00 0.77 0.00 0.00 66.41 67.00 2pur h THR 281 Cb -0.04 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 2pur h THR 281 CO -0.03 0.06 0.14 0.58 0.37 0.00 0.00 175.52 176.64 2pur h VAL 282 N -0.13 1.24 -0.68 3.16 2.07 -0.72 -2.03 116.25 119.16 2pur h VAL 282 Ca -0.00 -0.87 -0.04 0.00 0.82 0.00 0.00 66.70 66.61 2pur h VAL 282 Cb 0.12 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 2pur h VAL 282 CO 0.00 0.32 0.27 -0.09 0.02 0.00 0.00 177.57 178.09 2pur h ARG 283 N 0.78 1.02 -0.78 1.57 2.43 -0.31 -0.54 114.38 118.55 2pur h ARG 283 Ca 0.17 -0.19 0.09 0.00 -0.81 0.00 0.00 59.98 59.25 2pur h ARG 283 Cb 0.33 -0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 29.65 2pur h ARG 283 CO 0.00 0.85 0.43 0.00 -1.51 0.00 0.00 179.97 179.74 2pur h ALA 284 N 1.12 1.10 -0.46 2.80 0.00 -1.06 -1.61 119.26 121.14 2pur h ALA 284 Ca 0.23 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 2pur h ALA 284 Cb 0.21 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2pur h ALA 284 CO -0.02 0.05 -0.16 0.00 0.00 0.00 0.00 179.25 179.12 2pur h ALA 285 N 1.44 0.85 -0.46 0.00 0.00 -0.51 -1.12 119.26 119.45 2pur h ALA 285 Ca 0.38 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2pur h ALA 285 Cb 0.36 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2pur h ALA 285 CO -0.25 0.64 0.25 -0.07 0.00 0.00 0.00 179.25 179.82 2pur h LEU 286 N 0.78 0.58 -0.62 0.00 3.38 -0.66 -1.84 115.31 116.94 2pur h LEU 286 Ca 0.12 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2pur h LEU 286 Cb 0.69 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 2pur h LEU 286 CO 0.05 0.51 0.29 0.11 0.09 0.00 0.00 178.44 179.49 2pur h LYS 287 N 0.61 0.89 -0.62 1.13 1.57 -1.03 -0.57 116.57 118.54 2pur h LYS 287 Ca 0.16 -0.14 0.06 0.00 -1.87 0.00 0.00 60.65 58.86 2pur h LYS 287 Cb 0.06 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 2pur h LYS 287 CO -0.03 0.72 0.41 1.25 -0.57 0.00 0.00 179.45 181.24 2pur h HIS 288 N 0.85 0.64 -0.00 -1.35 2.76 -0.96 -0.23 115.15 116.85 2pur h HIS 288 Ca 0.21 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.40 2pur h HIS 288 Cb 0.13 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 28.88 2pur h HIS 288 CO 0.00 0.35 -0.02 0.00 -1.30 0.00 0.00 177.93 176.96 2pur n ALA 289 N -2.47 2.60 -1.36 5.26 0.00 -0.71 -4.81 120.51 119.02 2pur n ALA 289 Ca 0.09 -0.19 -0.03 0.00 0.00 0.00 0.00 53.44 53.30 2pur n ALA 289 Cb 0.21 -1.46 -0.01 0.00 0.00 0.00 0.00 19.45 18.19 2pur n ALA 289 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pur n GLY 290 N 1.20 0.53 0.01 0.00 0.00 -0.10 -4.95 105.19 101.89 2pur n GLY 290 Ca 0.17 -0.87 0.11 0.00 0.00 0.00 0.00 46.02 45.42 2pur n GLY 290 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pur n LEU 291 N -0.42 0.47 0.00 0.99 4.77 -0.29 -5.01 117.00 117.52 2pur n LEU 291 Ca -0.04 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 2pur n LEU 291 Cb 0.22 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 2pur n LEU 291 CO 0.05 0.09 0.15 0.18 -1.33 0.00 0.00 177.39 176.53